ELECTRONIC STRUCTURE OF METALLOCENES .I. MAGNETIC ANISOTROPY MEASUREMENTS AND MOLECULAR ORBITAL DESCRIPTIONS OF FERROCENE AND HOMOLOGOUS MOLECULES

被引：10

作者：

DEHN, JT

MULAY, LN

机构：

[1] Material Research Laboratory, Pennsylvania State University, University Park, Penna.

来源：

JOURNAL OF INORGANIC & NUCLEAR CHEMISTRY | 1969年 / 31卷 / 10期

关键词：

D O I：

10.1016/0022-1902(69)80091-6

中图分类号：

O61 [无机化学];

学科分类号：

070301 ; 081704 ;

摘要：

Diamagnetic susceptibility anisotropy measurements have made it possible to select the most adequate molecular orbital description of ferrocene from those presently available. This confirms the idea of using contracted metal orbitals resembling self-consistent-field orbitals in MO descriptions. Other evidence supporting this conclusion is discussed and a scheme for extending these results to ruthenocene and osmocene is proposed. © 1969.

引用

页码：3095 / &

共 35 条

[1] DIAMAGNETISM AS A TEST OF WAVE FUNCTIONS FOR SOME SIMPLE MOLECULES [J].