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3.2. Description of structures Results of single-crystal X-ray diffraction show that the crystal structures of compounds 1e3 are isomorphous and compound 2 is chosen as a representative. The molecular structure of 2 is a novel one-dimensional paddlewheel framewor (Fig. 1). As shown in Fig. 2, the central Tb(III) ion exhibits a distorted square antiprism configuration coordinated by one pair of chelating oxygen atoms (Tb(1)-O(5) =2.431(6) A°, Tb(1)-O(6) =2.578(6) A° ) from one NO3 anion, four bridging oxygen atoms (Tb(1)-O(1) =2.296(6) A° , Tb(1)-O(2C) =2.338(6) A° , Tb(1)-O(3A) =2.315(5) A° , Tb(1)-O(4B) =2.317(5) A°) from one hpht ligand, and one pair of chelating nitrogen atoms (Tb(1)-N(1) =2.596(7) A° , Tb(1)-N(2) =2.522(6) A°) from one phen ligand. The distances of Tbe-O (nitrate)are significantly longer than those of TbeO (carboxylate) and the average distance of TbeO is 2.379A° , which is strikingly shorter than that of Tb-N (2.559 A°). In addition, the bond angles consisting of Tb center and oxygen atoms are 129.2(2) (O(1)-Tb(1)-O(2C)), 133.7(2) (O(3A)-Tb(1)-O(4B)) and 50.71(19) (O(5)-Tb(1)-O(6)). The N(2)-Tb(1)-N(1) angle is 64.8(2). The Y(1) and Er(3) possess a similar structure. Their selected bond lengths and bond angles are listed in Table 2. The results indicate that the bond lengths of Tb-O(N) are significantly longer than that of Er-O(N), as expected for the lanthanide contraction, and that the bond lengths of Y-O(N) are similar to that of Er-O(N), which may be due to the similar radius of Y(III) and Er(III). [ Last edited by denjiapin on 2010-5-18 at 17:34 ] |
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denjiapin(金币+15, 翻译EPI+1):前天我自己翻译好了，不过仍然感谢你。金币归你了。谢谢！ 2010-05-21 10:46:42
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单晶解析结果表明，化合物1,2,3的晶型相同。以2为例子，化合物2的分子结构为一维轮形网状结构。（见图1）。在图2中，Tb(iii)中心原子与硝酸根阴离子上的2个氧原子、hpht上的4个氧原子以及Phen上的2个氮原子配位，呈现扭曲棱柱配位模式。Tb-O（硝酸根上的）的键长明显长于Tb-O（羧酸根上的）的键长，Tb-O的平均键长为2.379A°，这比Tb-N(2.559 A°)键短得多。 另外，由Tb和氧原子所构成的角度分别为129.2(2) (O(1)-Tb(1)-O(2C)), 133.7(2) (O(3A)-Tb(1)-O(4B)) and 50.71(19) (O(5)-Tb(1)-O(6)， N(2)-Tb(1)-N(1)的角度为64.8(2)。化合物1中的Y和3中的Er拥有类似的结构。表2列出了部分键长和键角数据。研究结构表明： 由于镧系收缩，Tb-O（N)明显长于Er-O(N); 可能由于具有相同大小的离子半径，Y-O(N)和 Er-O(N)键长相当。 |
2楼2010-05-20 12:35:22