CRYSTAL CONSTRUCTION AND MOLECULAR INTERPLAY IN SOLID FERROCENE, NICKELOCENE, AND RUTHENOCENE

被引：63

作者：

BRAGA, D

GREPIONI, F

机构：

[1] Dipartimento di Chimica “G. Ciamician”, Università di Bologna, Bologna, Via Selmi 2

来源：

ORGANOMETALLICS | 1992年 / 11卷 / 02期

关键词：

D O I：

10.1021/om00038a032

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 nickelocene, ruthenocene, and the monoclinic, orthorhombic, and triclinic modifications of ferrocene has been investigated by means of packing potential energy calculations and computer graphic analysis. The relationship between the various phases has been explored showing that small differences in molecular geometries and in intermolecular nonbonding interactions account for relevant differences in crystal properties. Potential energy barriers to ring reorientations have been calculated and compared with those obtained from anisotropic displacement parameters and from spectroscopic sources.

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页码：711 / 718

页数：8

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