ELECTRONIC-STRUCTURE AND BONDING IN L-NI-PH3 (L = CO, N2) COMPLEXES

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作者：
BRAGA, M
机构：
来源：
JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM | 1994年 / 110卷 / 01期
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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：
Ab initio MO calculations were carried out for the model systems OC-Ni-PH3 and N2 Ni-PH3. The magnitude of the ligand --> metal a donation and metal --> ligand pi back-donation was calculated and the contribution of both processes to the bonding in these systems analysed in detail.
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页码：41 / 44
页数：4
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