PREPARATION, CRYSTAL-STRUCTURE AND EXTENDED-HUCKEL MOLECULAR-ORBITAL STUDY OF THE FREE-RADICAL COMPLEX [NI2(CP)2(PHCN2S2)](CP = ETA-C5H5)

被引：24

作者：

BANISTER, AJ

GORRELL, IB

CLEGG, W

JORGENSEN, KA

机构：

[1] AARHUS UNIV,DEPT CHEM,DK-8000 AARHUS,DENMARK

[2] UNIV NEWCASTLE UPON TYNE,DEPT CHEM,NEWCASTLE TYNE NE1 7RU,TYNE & WEAR,ENGLAND

来源：

JOURNAL OF THE CHEMICAL SOCIETY-DALTON TRANSACTIONS | 1991年 / 04期

关键词：

D O I：

10.1039/dt9910001105

中图分类号：

O61 [无机化学];

学科分类号：

070301 ; 081704 ;

摘要：

Dimeric 4-phenyl-1,2,3,5-dithiadiazole (PhCN2S2)2 reacted with [{Ni(cp)(CO)}2] to give [Ni2(cp)2(PhCN2S2)] (cp = eta-C5H5). The X-ray structure was found to be based on an Ni2S2 tetrahedral core with Ni-Ni 2.441(1), S...S 2.905(2) and average Ni-S 2.172(1) angstrom. The relatively short nickel-nickel distance, indicating formally 19-electron nickel centres, and other structural features are discussed in relation to similar dinickel complexes and by means of extended-Huckel calculations.

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页码：1105 / 1109

页数：5

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