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[资源] Taylor新书《Comprehensive Handbook of Chemical Bond Energies》

超清晰，非影印版~~~~

Comprehensive Handbook of Chemical Bond Energies

--Yu-Ran Luo

Contents
Chapter one Introduction ........................................................................................................1
1.1 Comprehensive database of the BDEs ............................................................................1
1.2 What is the BDE? ................................................................................................................1
1.3 Why are reliable BDEs needed? .......................................................................................3
1.4 Scope of this book ...............................................................................................................3
1.5 On energy units ...................................................................................................................5
1.6 How to search for BDEs in this book ..............................................................................6
1.7 How to use the BDE data tables .......................................................................................7
Chapter two Experimental methods for measuring BDEs ...............................................13
2.1 A summary of main experimental methods ................................................................13
2.2 The conversion between D0, De, and DH0 ....................................................................16
2.2.1 Diatomic molecules .............................................................................................17
2.2.2 Polyatomic molecules .........................................................................................18
Chapter three BDEs of C–H bonds ......................................................................................19
3.1 Chain saturated hydrocarbons .......................................................................................19
3.2 Chain unsaturated hydrocarbons ...................................................................................24
3.3 Cyclic hydrocarbons .........................................................................................................31
3.4 Aromatic hydrocarbons ...................................................................................................40
3.5 Halogenated hydrocarbons .............................................................................................61
3.6 Organic compounds containing heteroatom(s) ............................................................70
3.6.1 C–H BDEs with a-OH, -OR, -C(O), -C(O)OH, -C(O)OR, -OC(O)R
and -OOR ..............................................................................................................70
3.6.1.1 C–H BDEs with a-OH .......................................................................70
3.6.1.2 C–H BDEs with a-OR ........................................................................73
3.6.1.3 C–H BDEs with a-C(O) .....................................................................83
3.6.1.4 C–H BDEs with a-C(O)OH ..............................................................93
3.6.1.5 C–H BDEs with a-C(O)OR, -OC(O)R and -OOR ..........................96
3.6.2 C–H BDEs with a-N, -CN, -NC, -NO, -NO2, -NN and in
heterocyclic species ...........................................................................................102
3.6.2.1 C–H BDEs with a-N ........................................................................102
3.6.2.2 C–H BDEs with a-CN and -NC .....................................................106
3.6.2.3 C–H BDEs with a-NO, -NO2, and -NN .......................................109
3.6.2.4 C–H BDEs in heterocyclic species .................................................112
3.6.3 C–H BDEs with a-O, -N and their groups ....................................................118
3.6.4 C–H BDEs with a-C(S), -S, -SO, and -SO2 .....................................................125
3.6.5 C–H BDEs with other heteroatoms at a-position .........................................132
3.7 C–H BDEs in radicals .....................................................................................................134
Chapter four BDEs of C–C bonds ......................................................................................147
4.1 Saturated hydrocarbons .................................................................................................147
4.2 Chain unsaturated hydrocarbons .................................................................................154
4.3 Aromatic hydrocarbons .................................................................................................161
4.4 Halogenated hydrocarbons ...........................................................................................166
4.5 Organic compounds containing heteroatoms ............................................................178
4.5.1 Organic compounds containing oxygen atoms ............................................178
4.5.2 Organic compounds containing nitrogen atoms ..........................................191
4.5.3 Organic compounds containing sulfur atoms ..............................................203
4.6 C–C BDEs in radicals .....................................................................................................205
Chapter five BDEs of C–halogen bonds ............................................................................211
5.1 C–F bonds .........................................................................................................................211
5.2 C–Cl bonds .......................................................................................................................218
5.3 C–Br bonds .......................................................................................................................233
5.4 C–I bonds .........................................................................................................................243
Chapter six BDEs of O–X bonds .........................................................................................255
6.1 O–H bonds .......................................................................................................................255
6.1.1 O–H bonds in non-phenols ..............................................................................255
6.1.1.1 O–H bonds in ROH .........................................................................255
6.1.1.2 O–H bonds in RC(O)OH ................................................................262
6.1.1.3 O–H bonds in ROOH ......................................................................266
6.1.2 O–H bonds in oximes and hydrolamines ......................................................272
6.1.3 O–H bonds in phenols ......................................................................................285
6.1.4 O–H bonds in sterically hindered phenols ...................................................298
6.1.5 O–H bonds in metal-containing species ........................................................306
6.1.6 O–H bonds in radicals ......................................................................................308
6.2 O–O bonds .......................................................................................................................309
6.3 O–C bonds ........................................................................................................................321
6.3.1 O–C bonds in alcohols ......................................................................................321
6.3.2 O–C bonds in ethers ..........................................................................................325
6.3.3 O–C bonds in acids, esters and anhydrides ..................................................333
6.3.4 O–C bonds in peroxides and peroxys ............................................................337
6.3.5 O–C bonds in other species .............................................................................342
6.3.6 O–C bonds in radicals .......................................................................................346
6.4 O–N bonds .......................................................................................................................347
6.5 O–S bonds ........................................................................................................................360
6.6 O–halogen bonds ............................................................................................................365
Chapter seven BDEs of N–X bonds ...................................................................................369
7.1 N–H bonds .......................................................................................................................369
7.1.1 N–H bonds in non-anilines ..............................................................................369
7.1.2 N–H bonds in anilines ......................................................................................378
7.1.3 N–H bonds in cyclic compounds ....................................................................387
7.2 N–N bonds .......................................................................................................................395
7.3 N–C bonds ........................................................................................................................403
7.4 N–S bonds .........................................................................................................................420
7.5 N–halogen bonds .............................................................................................................422
7.6 N–B, N–Al, N–Ga, and N–In bonds .............................................................................424
Chapter eight BDEs of S–, Se–, Te–, Po–X bonds .............................................................425
8.1 S–H bonds ........................................................................................................................425
8.2 S–S bonds .........................................................................................................................431
8.3 S–C bonds .........................................................................................................................436
8.4 S–halogen bonds .............................................................................................................445
8.5 S–P, S–As, and S–Sb bonds ............................................................................................449
8.6 Se–X bonds .......................................................................................................................451
8.7 Te–X bonds .......................................................................................................................453
8.8 Po–X bonds ......................................................................................................................454
Chapter nine BDEs of Si–, Ge–, Sn–, and Pb–X bonds ...................................................455
9.1 Si–X BDEs .........................................................................................................................455
9.2 Ge–X bonds ......................................................................................................................467
9.3 Sn–X bonds ......................................................................................................................473
9.4 Pb–X bonds ......................................................................................................................478
Chapter ten BDEs of P–, As–, Sb–, Bi–X bonds ...............................................................481
10.1 P–X bonds ......................................................................................................................481
10.2 As–X bonds ....................................................................................................................487
10.3 Sb–X bonds .....................................................................................................................489
10.4 Bi–X bonds .....................................................................................................................490
Chapter eleven BDEs of H(HG)–, Li(LiG)–, Na(NaG)–, K(KG)–, Rb(RbG)–,
and Cs(CsG)–X bonds ..............................................................................493
11.1 H–, HC–, and HK–X bonds .........................................................................................493
11.2 Li– and LiG–X bonds ....................................................................................................496
11.2.1 Li–X bonds ......................................................................................................496
11.2.2 LiG–X bonds ...................................................................................................500
11.3 Na–, NaCK, and NaK–X bonds .................................................................................516
11.3.1 Na–X bonds ....................................................................................................516
11.3.2 NaC–X bonds .................................................................................................522
11.3.3 NaK–X bonds .................................................................................................541
11.4 K–, KC–, and K––X bonds ...........................................................................................541
11.4.1 K–X bonds .......................................................................................................541
11.4.2 KC–X bonds ....................................................................................................544
11.4.3 KK–X bonds ....................................................................................................557
11.5 Rb–, RbC–, and RbK–X bonds ....................................................................................557
11.5.1 Rb–X bonds .....................................................................................................557
11.5.2 RbC–X bonds ..................................................................................................559
11.5.3 RbK–X bonds ..................................................................................................562
11.6 Cs–, CsC–, and CsK–X bonds .....................................................................................563
11.6.1 Cs–X bonds .....................................................................................................563
11.6.2 CsC–X bonds ..................................................................................................565
11.6.3 CsK–X bonds ..................................................................................................569
Chapter twelve BDEs of Be(BeC)–, Mg(MgC)–, Ca(CaC)–, Sr(SrC)–, Ba(BaC)–,
and Ra–X bonds ........................................................................................571
12.1 Be– and BeC–X bonds ..................................................................................................571
12.1.1 Be–X bonds .....................................................................................................571
12.1.2 BeC–X bonds ..................................................................................................573
12.2 Mg– and MgC–X bonds ...............................................................................................574
12.2.1 Mg–X bonds ...................................................................................................574
12.2.2 MgC–X bonds ................................................................................................579
12.3 Ca– and CaC–X bonds .................................................................................................584
12.3.1 Ca–X bonds .....................................................................................................584
12.3.2 CaC–X bonds ..................................................................................................587
12.4 Sr– and SrC–X bonds ...................................................................................................591
12.4.1 Sr–X bonds ......................................................................................................591
12.4.2 SrC–X bonds ...................................................................................................593
12.5 Ba– and BaC–X bonds ..................................................................................................596
12.5.1 Ba–X bonds .....................................................................................................596
12.5.2 BaC–X bonds ..................................................................................................598
12.6 Ra–X bonds ....................................................................................................................599
Chapter thirteen BDEs of Sc(ScC)–, Y(YC)–, La(LaC)–,
and Ac(AcC)–X bonds ...........................................................................601
13.1 Sc– and ScC–X bonds ...................................................................................................601
13.1.1 Sc–X bonds ......................................................................................................601
13.1.2 ScC–X bonds ...................................................................................................603
13.2 Y– and YC–X bonds ......................................................................................................607
13.2.1 Y– bonds ..........................................................................................................607
13.2.2 YC–X bonds ....................................................................................................610
13.3 La– and LaC–X bonds ..................................................................................................612
13.4 Ac– and AcC–X bonds .................................................................................................643
Chapter fourteen BDEs of Ti(TiG)–, Zr(ZrC)–, and Hf(HfC)–X bonds ........................667
14.1 Ti–, TiC–, and TiK–X bonds ........................................................................................667
14.1.1 Ti–X bonds ......................................................................................................667
14.1.2 TiC– and TiK–X bonds .................................................................................673
14.2 Zr– and ZrC–X bonds ..................................................................................................679
14.2.1 Zr–X bonds .....................................................................................................679
14.2.2 ZrC–X bonds ..................................................................................................683
14.3 Hf– and HfC–X bonds .................................................................................................685
Chapter fifteen BDEs of V(VG)–, Nb(NbC)–, and Ta(TaC)–X bonds ...........................689
15.1 V–, VC–, and VK–X bonds ..........................................................................................689
15.1.1 V–X bonds .......................................................................................................689
15.1.2 VC–X bonds ....................................................................................................692
15.1.3 VK–X bonds ....................................................................................................699
15.2 Nb– and NbC–X bonds ................................................................................................700
15.2.1 Nb–X bonds ....................................................................................................700
15.2.2 NbC–X bonds .................................................................................................704
15.3 Ta– and TaC–X bonds ..................................................................................................708
15.3.1 Ta–X bonds .....................................................................................................708
15.3.2 TaC–X bonds ..................................................................................................711
Chapter sixteen BDEs of Cr(CrG)–, Mo(MoG)–, and W(WG)–X bonds ......................713
16.1 Cr–, CrC–, and CrK–X bonds .....................................................................................713
16.1.1 Cr–X bonds .....................................................................................................713
16.1.2 CrC–X bonds ..................................................................................................723
16.1.3 CrK–X bonds ..................................................................................................733
16.2 Mo–, MoCK, and MoK–X bonds ...............................................................................734
16.2.1 Mo–X bonds ...................................................................................................734
16.2.2 MoC–X bonds ................................................................................................746
16.2.3 MoK–X bonds ................................................................................................751
16.3 W–, WC–, and WK–X bonds .......................................................................................751
16.3.1 W–X bonds ......................................................................................................751
16.3.2 WC–X bonds ..................................................................................................778
16.3.3 WK–X bonds ..................................................................................................780
Chapter seventeen BDEs of Mn(MnG)–, Tc(TcC), and Re(ReG)–X bonds ...................781
17.1 Mn–, MnC–, and MnK–X bonds .................................................................................781
17.1.1 Mn–X bonds ....................................................................................................781
17.1.2 MnC–X bonds .................................................................................................787
17.1.3 MnK–X bonds .................................................................................................793
17.2 Tc–X and TcC–X bonds .................................................................................................795
17.2.1 Tc–X bonds ......................................................................................................795
17.2.2 TcC–X bonds ...................................................................................................795
17.3 Re–, ReC–, and ReK–X bonds .....................................................................................796
17.3.1 Re–X bonds .....................................................................................................796
17.3.2 ReC–X bonds ..................................................................................................799
17.3.3 ReK–X bonds ..................................................................................................801
Chapter eighteen BDEs of Fe(FeG)–, Ru(RuC)–, and Os(OsC)–X bonds ....................803
18.1 Fe–, FeC–, and FeK–X bonds ......................................................................................803
18.1.1 Fe–X bonds .....................................................................................................803
18.1.2 FeC–X bonds ..................................................................................................815
18.1.3 FeK–X bonds ..................................................................................................838
18.2 Ru– and RuC–X bonds .................................................................................................840
18.2.1 Ru–X bonds ....................................................................................................840
18.2.2 RuC–X bonds .................................................................................................849
18.3 Os– and OsC–X bonds .................................................................................................851
18.3.1 Os–X bonds .....................................................................................................851
18.3.2 OsC–X bonds ..................................................................................................853
Chapter nineteen BDEs of Co(CoG)–, Rh(RhC)–, and Ir(IrC)–X bonds ......................855
19.1 Co–, CoC– and CoK–X bonds .....................................................................................855
19.1.1 Co–X bonds ....................................................................................................855
19.1.2 CoC–X bonds .................................................................................................868
19.1.3 CoK–X bonds .................................................................................................881
19.2 Rh– and RhC–X bonds .................................................................................................882
19.2.1 Rh–X bonds ....................................................................................................882
19.2.2 RhC–X bonds .................................................................................................892
19.3 Ir– and IrC–X bonds .....................................................................................................895
19.3.1 Ir–X bonds .......................................................................................................895
19.3.2 IrC–X bonds ...................................................................................................901
Chapter twenty BDEs of Ni(NiG)–, Pd(PdG)–, and Pt(PtG)–X bonds .........................903
20.1 Ni–, NiC–, and NiK–X bonds .....................................................................................903
20.1.1 Ni–X bonds .....................................................................................................903
20.1.2 NiC– and NiK–X bonds ...............................................................................921
20.1.3 NiK–X bonds ..................................................................................................931
20.2 Pd–, PdC–, and PdK–X bonds ....................................................................................932
20.2.1 Pd–X bonds .....................................................................................................932
20.2.2 PdC–X bonds ..................................................................................................939
20.2.3 PdK–X bonds ..................................................................................................941
20.3 Pt–, PtC–, and PtK–X bonds .......................................................................................941
20.3.1 Pt–X bonds ......................................................................................................941
20.3.2 PtC–X bonds ...................................................................................................963
20.3.3 PtK–X bonds ...................................................................................................965
Chapter twenty-one BDEs of Cu(CuG)–, Ag(AgG)–, and Au(AuG)–X bonds ...........967
21.1 Cu–, CuC–, and CuK–X bonds ...................................................................................967
21.1.1 Cu–X bonds ....................................................................................................967
21.1.2 CuC–X bonds .................................................................................................982
21.1.3 CuK–X bonds .................................................................................................989
21.2 Ag–, AgC–, and AgK–X bonds ...................................................................................990
21.2.1 Ag–X bonds ....................................................................................................990
21.2.2 AgC–X bonds .................................................................................................999
21.2.3 AgK–X bonds ...............................................................................................1009
21.3 Au–, AuC–, and AuK–X bonds ................................................................................1009
21.3.1 Au–X bonds ..................................................................................................1009
21.3.2 AuC–X bonds ...............................................................................................1021
21.3.3 AuK–X bonds ...............................................................................................1025
Chapter twenty-two BDEs of Zn(ZnC)–, Cd(CdC)–, and Hg(HgC)–X bonds .........1027
22.1 Zn– and ZnC–X bonds ...............................................................................................1027
22.1.1 Zn–X bonds ..................................................................................................1027
22.1.2 ZnC–X bonds ...............................................................................................1031
22.2 Cd– and CdC–X bonds ..............................................................................................1033
22.2.1 Cd–X bonds ..................................................................................................1033
22.2.2 CdC–X bonds ...............................................................................................1035
22.3 Hg– and HgC–X bonds ..............................................................................................1036
22.3.1 Hg–X bonds ..................................................................................................1036
22.3.2 HgC–X bonds ...............................................................................................1039
Chapter twenty-three BDEs of B(BG)–, Al(AlG)–, Ga(GaG)–, In(InG)–, and
Tl(TlG)–X bonds ...........................................................................1041
23.1 B–, BC–, and BK–X bonds .........................................................................................1041
23.1.1 B–X bonds .....................................................................................................1041
23.1.2 BC–X bonds ..................................................................................................1049
23.1.3 BK–X bonds ..................................................................................................1051
23.2 Al–, and AlG–X bonds ...............................................................................................1052
23.2.1 Al–X bonds ...................................................................................................1052
23.2.2 AlC– and AlK–X bonds ..............................................................................1062
23.3 Ga–, GaC–, and GaK–X bonds .................................................................................1068
23.3.1 Ga–X bonds ..................................................................................................1068
23.3.2 GaC–X bonds ...............................................................................................1074
23.3.3 GaK–X bonds ...............................................................................................1075
23.4 In– and InG–X bonds .................................................................................................1075
23.4.1 In–X bonds ....................................................................................................1075
23.4.2 InC– and InK–X bonds ...............................................................................1083
23.5 Tl– and TlG–X bonds .................................................................................................1084
23.5.1 Tl–X bonds ....................................................................................................1084
23.5.2 TlC– and TlK–X bonds ...............................................................................1086
Chapter twenty-four BDEs in the C-, Si-, Ge-, Sn-, Pb-clusters
and complexes ...............................................................................1087
24.1 Carbon and the ion clusters/complexes .................................................................1087
24.1.1 Carbon clusters/complexes .......................................................................1087
24.1.2 Positive carbon-ion clusters/complexes ..................................................1099
24.1.3 Negative carbon-ion clusters/complexes ................................................1136
24.2 Silicon and the ion clusters/complexes ..................................................................1140
24.2.1 Silicon clusters/complexes ........................................................................1140
24.2.2 Silicon-ion clusters/complexes .................................................................1147
24.3 Germanium clusters/complexes ..............................................................................1153
24.3.1 Germanium clusters/complexes ...............................................................1153
24.3.2 Germanium-ion clusters/complexes ........................................................1155
24.4 Tin clusters/complexes ..............................................................................................1156
24.4.1 Tin clusters/complexes ..............................................................................1156
24.4.2 Tin-ion clusters/complexes .......................................................................1157
24.5 Lead clusters/complexes ...........................................................................................1159
Chapter twenty-five BDEs in the N-, P-, As-, Sb-, Bi-clusters
and complexes ................................................................................1163
25.1 Nitrogen and the ion clusters/complexes ..............................................................1163
25.1.1 Nitrogen clusters/complexes ....................................................................1163
25.1.2 Positive nitrogen-ion clusters/complexes ...............................................1171
25.1.3 Negative nitrogen-ion clusters/complexes .............................................1219
25.2 Phosphorus clusters/complexes ..............................................................................1235
25.2.1 Phosphorus-cation clusters/complexes ...................................................1235
25.2.2 Phosphorus-anion clusters/complexes ....................................................1236
25.3 Arsenic clusters/complexes ......................................................................................1238
25.4 Antimony clusters/complexes ..................................................................................1239
25.5 Bismuth-ion clusters/complexes ..............................................................................1240
Chapter twenty-six BDEs in the O-, S-, Se-, Te-clusters and complexes ...................1243
26.1 Oxygen and the ion clusters/complexes ................................................................1243
26.1.1 Oxygen clusters/complexes ......................................................................1243
26.1.2 Positive oxygen-ion clusters/complexes .................................................1259
26.1.3 Negative oxygen-ion clusters/complexes ...............................................1300
26.2 Sulfur and the ion clusters/complexes ...................................................................1323
26.2.1 Sulfur clusters/complexes .........................................................................1323
26.2.2 Positive sulfur-ion clusters/complexes ...................................................1325
26.2.3 Negative sulfur-ion clusters/complexes .................................................1331
26.3 Selenium clusters/complexes ...................................................................................1341
26.4 Tellurium clusters/complexes ..................................................................................1346
Chapter twenty-seven BDEs in the halogenated molecules, clusters
and complexes .............................................................................1351
27.1 F–, FC–, and FK–X bonds ..........................................................................................1351
27.1.1 F–X bonds ......................................................................................................1351
27.1.2 FC–X bonds ...................................................................................................1355
27.1.3 FK–X bonds ...................................................................................................1355
27.2 Cl–, ClC–, and ClK–X bonds .....................................................................................1374
27.2.1 Cl–X bonds ....................................................................................................1374
27.2.2 ClC–X bonds .................................................................................................1377
27.2.3 ClK–X bonds .................................................................................................1379
27.3 Br–, BrC–, and BrK–X bonds .....................................................................................1399
27.3.1 Br–X bonds ....................................................................................................1399
27.3.2 BrC–X bonds .................................................................................................1401
27.3.3 BrK–X bonds .................................................................................................1402
27.4 I–, IC–, and IK–X bonds .............................................................................................1414
27.4.1 I–X bonds ......................................................................................................1414
27.4.2 IC–X bonds ...................................................................................................1416
27.4.3 IK–X bonds ...................................................................................................1417
27.5 At–X bonds ...................................................................................................................1427
Chapter twenty-eight BDEs in rare gas atom/ion clusters ..........................................1429
28.1 Rare gas atom clusters ...............................................................................................1429
28.1.1 Diatomic clusters .........................................................................................1429
28.1.2 Polyatomic clusters .....................................................................................1436
28.2 Rare gas ion clusters ...................................................................................................1446
Chapter twenty-nine Heats of formation of atoms, radicals, and ions ......................1453
29.1 Gaseous atoms .............................................................................................................1453
29.2 Small inorganic radicals in the gas-phase ..............................................................1455
29.2.1 Metallic radicals ...........................................................................................1455
29.2.2 Non-metallic radicals ..................................................................................1459
29.3 Organic radicals in the gas-phase ............................................................................1461
29.3.1 C-centered radicals ......................................................................................1461
29.3.2 O-centered radicals .....................................................................................1471
29.3.3 N-centered radicals .....................................................................................1474
29.3.4 S-centered radicals ......................................................................................1475
29.3.5 Si, Ge-, Sn-, and Pb-centered radicals ......................................................1476
29.4 Group additivity values for organic radicals .........................................................1478
29.5 Enthalpy of formation of monoatomic cations ......................................................1481
29.6 Enthalpy of formation of monoatomic anions .......................................................1484
References ................................................................................................................................1487
1946–1964 .................................................................................................................................1487
1965–1969 .................................................................................................................................1489
1970–1974 .................................................................................................................................1494
1975–1979 .................................................................................................................................1502
1980–1984 .................................................................................................................................1511
1985–1989 .................................................................................................................................1524
1990–1994 .................................................................................................................................1540
1995–1999 .................................................................................................................................1564
2000–2004 .................................................................................................................................1591
2005–2006 .................................................................................................................................1614
Index of compound classes ....................................................................................................1621
Index of compound names ....................................................................................................1633

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2012-07-27 23:06:01, 4.72 M