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[交流] 化学信息的获得--有机化学部分

化学信息的获得--有机化学部分
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Chemical Literature

Data Collections
These are a form of secondary literature in which an editor selects information from primary sources and arranges it to facilitate a particular type of access.
Often, the data are reviewed and evaluated by the editors before inclusion, adding further value.
The right data collection can be more useful than searching primary sources, depending on the objective of your search.
Types of data collections
Dictionaries
This includes both classical lists of definitions of terms, and "chemical dictionaries" which have alphabetical lists of compounds, with various kinds of data.
Encyclopedias
Encyclopedias have substantial articles on relevant topics, usually in alphabetical order, usually with a significant bibliography of the source literature.
Physical data collections (including spectra collections)
Physical data collections can take many different forms, depending on the objective of the editor. Some are ordered by compound name or formula, others by the value of the property in question.
Reaction and synthesis guides
These may collect preparations of individual compounds, applications of individual reagents, or general methods, grouped by type of reaction, type of starting material or type of product.
Analytical methods guides
These may deal with specific or general techniques, grouped by analyte, matrix, or method.
Comprehensive works
These are usually ongoing series, attempting to summarize all of a given area of chemistry. Good examples include the Beilstein Handbook of Organic Chemistry and the Gmelin Handbook of Inorganic and Organometallic Chemistry.
Types of organization
Grouping by data vs. grouping by substance
If by substance, then by name, formula, or other scheme?
What is the chronological range, and how is it updated?
CRC Handbook of Chemistry and Physics
(SEL Desk QD 65 .H3)
Familiar source; published annually but usually changes little from one year to the next.
Variety of useful physical and chemical data, with some references. Tables are grouped in broad subject sections. Arrangement within tables varies.
Most frequently used for tables of organic compounds and inorganic compounds, which contain data on melting points, boiling points, density and solubility among others.
Note that both tables have synonym indexes following the table.
Not very systematic in choice of data, and indexing can be inconsistent.
Merck Index
(SEL Desk RS 356 .M4)
Published by Merck Pharmaceuticals, with data primarily on organics, strongest on drugs (surprise!).
Includes physical data, preparation references., toxicity and uses.
Arranged alphabetically by chemical name; well-indexed; updated irregularly.
Aldrich Catalog
(SEL Desk TP 202 .A48)
More than just a catalog...
Includes basic physical data, cross-references to Beilstein, Merck and Fieser, and safety information.
Arranged alphabetically, with indexes by molecular formula and CAS Registry Number.
See also other chemical companies catalogs, both in print (on catalog shelf near SEL Desk) and on the Web. Check InfoSurf Chemistry: Chemical Suppliers at http://www.library.ucsb.edu/subj ... st4.html#chemicals.
ChemFinder WebServer
http://www.chemfinder.com/
This database, provided by CambridgeSoft, provides basic physical data and structure diagrams.
It also has links to websites containing other data for a large number of chemical compounds.
It is searchable by name, molecular weight, molecular formula, CAS Registry Number.
While the database is free to all users, it may require the user to register.
Encyclopedia of Chemical Technology
(Ref TP 9 .E685)
Commonly referred to as "Kirk-Othmer" after its early editors.
Wide-ranging, authoritative encyclopedia of chemical and process information
4th edition in progress, almost complete; 3rd and earlier editions still useful.
Very strong on industrially important chemicals.
Good subject indexing, cross-references and bibliographies.
Other important encyclpedias of chemical engineering are:
Encyclopedia of Chemical Processing and Design, aka "McKetta's", Ref TP 9 .E66
Ullman's Encyclopedia of Industrial Chemistry, Ref TP 9 .U57 1985
Encyclopedia of Polymer Science and Engineering
(Ref TP 1087 .E46 1985)
Sister publication to Encyclopedia of Chemical Technology above.
Covers polymer science in great detail, with thorough indexing, good cross-references and excellent bibliographies.
Polymeric Materials Encyclopedia
(Ref TP 1110 .P65 1996)
Very recent, 12 volume work on polymeric materials; covers both natural and synthetic polymers, both specific compounds and classes of comounds; preparations, reactions and properties; processes and applications.
Well referenced and indexed.
"Landolt-Bornstein"
(Ref QC 61 .L3 1961)
Actual title: Numerical Data and Functional Relationships in Science and Technology
Largest single collection of purely physical data -- over 110 volumes in New Series alone.
The series went through six editions which superseded one another. The "New Series" doesn't replace the 6th edition. Both are listed in the indexes.
New Series is in both German and English; 6th Ed. is in entirely in German.
The New Series is subdivided by "series"
Series 1: Nuclear physics
Series 2: Atomic and molecular physics
Series 3: Crystal and solid state physics
Series 4: Macroscopic properties
Series 5: Geophysics
Series 6: Astrophysics
Series 7: Biophysics
Lots of data, but poorly indexed. There are overall subject indexes, but they're not very good.
If you have a particular substance in mind, consult the three-volume substance index, then scan list for available property data.
"Comprehensive Chemistry" Series
(various call numbers, see below)
Pergamon Press (a division of Reed Elsevier) publishes a number of sets in various subject areas containing review articles by eminent researchers.
Within each set, the article chapters are grouped into volumes by broad subject area.
The indexing is mediocre and you may have to check several possible headings to find the desired information.
Currently available are:
Comprehensive Biotechnology TP 248.2 .C66 1985
Comprehensive Composite Materials On order.
Comprehensive Coordination Chemistry Ref QD 474 .C65 1987
Comprehensive Heterocyclic Chemistry Ref QD 400 .C65 1984
Comprehensive Heterocyclic Chemistry II Ref QD 400 .C65 1996
Comprehensive Inorganic Chemistry Ref QD 151.2 .C64
Comprehensive Medicinal Chemistry Ref RS 402 .C65 1990
Comprehensive Natural Products Chemistry Ref QD 415 .C63 1999
Comprehensive Organic Chemistry Ref QD 245 .C65
Comprehensive Organic Functional Group Transformations Ref QD 262 .C534 1995
Comprehensive Organic Synthesis Ref QD 262 .C535 1991
Comprehensive Organometallic Chemistry Ref QD 411 .C65 1982
Comprehensive Organometallic Chemistry II Ref QD411 .C652 1995
Comprehensive Polymer Science Ref QD 381 .C66 1989
Comprehensive Supramolecular Chemistry Ref QD 411 .C66 1996
Comprehensive Toxicology    RA 1199 .C648 1997
Encyclopedia of Inorganic Chemistry
(Ref QD148 .E53 1994)
New; mixture of short "definition" articles with longer review articles by noted authors with good bibliographies.
Covers inorganic, bioinorganic, organo-metallic and coordination chemistry
Alphabetical organization, with thematic list in the foreword, subject index and list of contributors.
CRC Handbook of Data on Organic Compounds (HODOC)
(Ref QD 257.7 .H36)
Multi-volume set gives structures, basic physical properties of organic compounds.
Includes references to Beilsteinand to Sadtler spectra collections.
Alphabetical order. Indexes for synonyms, formulas, spectral peaks, CAS Registry #'s. Now in 3rd edition.
Handbook of Physical Properties of Organic Compounds
(Ref QD 257.7 .H374 1997)
Single volume, gives structure and data important to environmental fate of compounds (mp, bp, water solubility, octanol-water partition coefficient, vapor pressure, pKa, Henry's Law constant, and atmospheric hydroxyl radical reaction rate constant), and references.
Arranged by CAS Registry Number, with name and molecular formula indexes.
"Dictionary of Compounds" Series
various call numbers, see below.
CRC Press publishes a variety of "dictionaries" of compounds (formerly published by Chapman-Hall.)
They give structure diagrams, basic physical data (on both the compound and significant derivatives), and references for other information.
Alphabetical arrangement; well-indexed, including CAS Registry #'s.
Current sets include:
Dictionary of Organic Compounds, 6th ed. Ref QD 251 .D5 1996
Dictionary of Natural Products Ref QD 415 .A25 D53 1994
Dictionary of Inorganic Compounds Ref QD 148 .D53 1992
Dictionary of Organometallic Compounds, 2nd ed. Ref QD 411 .D53 1995
Dictionary of Organophosphorus Compounds Ref QD 412 .P1 E36 1988
Dictionary of Antibiotics Ref RS 431 .A6 D53 1988
Dictionary of Drugs Ref RS 51 .D479 1990
Dictionary of Analytical Reagents Ref QD 77 .D498 1993
Rodd's Chemistry of Carbon Compounds
(Ref QD 251 .R6)
Series of review volumes with ongoing supplements on organic compounds.
Organized by chemical class; 1st by acyclic, alicyclic, aromatic, or heterocyclic, then by other structural features.
Very good on reactions & biochemicals
Best all-English handbook of organic chemical information.
Theilheimer's Synthetic Methods
(QD 262 .S9)
In many respects it's more of an index to the literature than a data collection; covering organic reaction techniques.
Compiled annually; companion to Journal of Synthetic Methods.
Detailed classification scheme by the type of bond formed, type of reaction, type of bond broken and reagent(s) used. A tough reference to use....
"Houben-Weyl" Methoden der Organischen Chemie
(QD 258 .M4)
A very comprehensive series on organic methods, with periodic supplements.
Organized by chemical classes.
Entirely in German, until very recently.
Now publishing specialized sets, e.g. on stereoselective reactions.
Stereoselective Synthesis Ref QD 258 .M4 1952 v.E21 parts 1-10
Published in 1996, this is an excellent compendium of methods for synthesizing and characterizing stereospecific compounds, with good indexing.
Organic Reactions
(Ref QD 251 .O68)
Annual publication with review articles on important synthetic methods.
Articles are published in no particular order, but the series is well-indexed, with cumulative author and chapter/topic indexes in each volume for all the preceding volumes.
Organic Syntheses
(Ref QD 262 .O68)
Annual publication with tested syntheses of organic and organometallic compounds.
Gives detailed descriptions of synthetic techniques, reagents, yields and safety aspects.
Well-indexed (authors, compound names, reaction types, molecular formulas)
Collective volumes include revised and updated syntheses from annual volumes. There is a cumulative index for the first eight collective volumes.
Inorganic Syntheses
(Ref QD 151 .I5)
A less-than-annual publication, similar in format to Organic Syntheses
Covers inorganic and organometallic compounds (including boranes, synthetic metals, superconductors)
No collective volumes, but the indexes cumulate every five volumes.
Fieser and Fieser's Reagents for Organic Synthesis
(Ref QD 262 .F5)
Classic series reporting on new reagents and new uses for old reagents.
Published less-than-annually.
Alphabetical list of reagents, with author and subject index.
Cumulative index for Vols. 1-12.
Encyclopedia of Reagents for Organic Synthesis
Ref QD 77 .E53 1995
Recent multi-volume set, listing compounds in alphabetical order
Gives physical data and brief, but detailed description of uses
Excellent references and indexing (compound name, formula, type of reaction)
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