Molecular orbital studies of luminescent silver(I) chalcogenido clusters [Ag-4(mu-dppm)(4)(mu(4)-E)](2+) (dppm=Ph(2)PCH(2)PPh(2))

被引：27

作者：

Wang, CR ^{[1
]}

Lo, KKW ^{[1
]}

Yam, VWW ^{[1
]}

机构：

[1] UNIV HONG KONG,DEPT CHEM,HONG KONG,HONG KONG

来源：

JOURNAL OF THE CHEMICAL SOCIETY-DALTON TRANSACTIONS | 1997年 / 02期

关键词：

D O I：

10.1039/a605063h

中图分类号：

O61 [无机化学];

学科分类号：

070301 ; 081704 ;

摘要：

The electronic structures of the mu(4)-chalcogenido silver(I) complexes [Ag-4(mu-dppm)(4)(mu(4)-E)][O3SCF3](2) (E = S 1, Se 2 or Te 3; dppm = Ph(2)PCH(2)PPh(2)) have been calculated by use of the Fenske-Hall molecular orbital method. The results indicate that complexes 1-3 show similar electronic structures, with the highest occupied molecular orbital being mainly of Ag-E character while the lowest unoccupied molecular orbital is of metal-metal interaction character. A correlation between the results of these calculations with the spectroscopic properties of this class of complexes is described.

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页码：227 / 229

页数：3

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