THEORETICAL-STUDY OF SPECIES FORMED BY I-A AND I-B METALS OR IONS AND A CN LIGAND

被引：10

作者：

BOUSLAMA, L ^{[1
]}

DAOUDI, A ^{[1
]}

MESTDAGH, H ^{[1
]}

ROLANDO, C ^{[1
]}

SUARD, M ^{[1
]}

机构：

[1] FAC SCI FES, DEPT CHIM, FES, MOROCCO

来源：

JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM | 1995年 / 330卷

关键词：

D O I：

10.1016/0166-1280(94)03837-B

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

Multireference second-order perturbation calculations have been carried out for copper and sodium complexes involving one CN ligand. Neutral compounds are strongly linked, cyanides M-CN being more stable than isocyanides M-NC (M = Cu, Na) as in the case of the pair HCN/HNC. Cations are much less strongly linked, Cu-NC+ being predicted to be the only system having a fairly bound structure, at variance with the dominance of the cyanide form in the HCN+/HNC+ pair.

引用

页码：187 / 190

页数：4

共 23 条

[1] AN INVESTIGATION OF CORRELATION-EFFECTS IN TRANSITION-METAL SANDWICH COMPLEXES - HARTREE-FOCK STUDIES ON A SERIES OF METALLOCENES [J].