ISOMERS IN THE MERRY-GO-ROUND PROCESS - MOLECULAR VERSUS CRYSTAL-STRUCTURE

被引：19

作者：

BRAGA, D

GREPIONI, F

机构：

来源：

JOURNAL OF THE CHEMICAL SOCIETY-DALTON TRANSACTIONS | 1993年 / 08期

关键词：

D O I：

10.1039/dt9930001223

中图分类号：

O61 [无机化学];

学科分类号：

070301 ; 081704 ;

摘要：

The relationship between crystal and molecular structure of the pairs of isomers in the 'merry-go-round' process [Ir4(CO)9(mu3-SCH2SCH2SCH2)] 1 and [Ir4(CO)6(mu-CO)3(mu-SCH2SCH2SCH2)] 2, and of the ionic species [NMe2(CH2Ph)2][Ir4(CO)11(SCN)] 3 and [N(PPhl)2][Ir4(CO)8(mu-CO)3(SCN)] 4 has been investigated by means of atom-atom potential-energy calculations and packing analysis. It has been shown that in both 1 and 2 a network of weak C-H ... O hydrogen-bonding interactions is established. In 2 these interactions involve only the bridging CO ligands. In 4 the cluster anions show a clear tendency to form anion piles surrounded by cation belts, while segregation of the SCN - groups by the NMe2(CH2Ph)2+ cations has been observed in 3. Tighter crystal packings are associated with the bridged isomers which also possess smaller molecular volumes than the all-terminal species.

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页码：1223 / 1229

页数：7

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