NI(CO)(4) AND FE(CO)(5) - A STUDY OF MOLECULAR RECOGNITION AND CRYSTAL CONSTRUCTION

被引：20

作者：

BRAGA, D ^{[1
]}

GREPIONI, F ^{[1
]}

ORPEN, AG ^{[1
]}

机构：

[1] UNIV BRISTOL,SCH CHEM,BRISTOL BS8 1TS,AVON,ENGLAND

来源：

ORGANOMETALLICS | 1994年 / 13卷 / 09期

关键词：

D O I：

10.1021/om00021a030

中图分类号：

O61 [无机化学];

学科分类号：

070301 ; 081704 ;

摘要：

The molecular organization in crystals of the prototypical organometallic molecules Ni(CO)(4) and Fe(CO)(5) has been investigated by means of packing potential energy calculations and computer graphic analysis. The atom-atom pairwise potential energy method has been used to study the interaction energy between molecular pairs and the molecular self-recognition process that leads to crystal construction. Alternative crystal structures have been generated for the two molecules and for the hypothetical square-pyramidal isomer of Fe(CO)(5).

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页码：3544 / 3556

页数：13

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