From a 44-electron to a 48-electron trinuclear phosphido platinum complex:: density functional study of [{(CF3)(PH3)Pt (μ-PH2)(μ-H)}2Pt] and [{(CF3)(PH3)Pt(μ-PH2)(μ-I)}2Pt] model compounds

被引：16

作者：

Ara, I

Chaouche, N

Forniés, J

Fortuño, C

Kribii, A

Tsipis, AC

Tsipis, CA

机构：

[1] Univ Zaragoza, CSIC, Dept Quim Inorgan, E-50009 Zaragoza, Spain

[2] Univ Zaragoza, CSIC, Inst Ciencia Mat Aragon, E-50009 Zaragoza, Spain

[3] Univ IbnTofail, Fac Sci, Dept Chim, Kenitra, Morocco

[4] Univ Ioannina, Dept Chem, Inorgan Chem Lab, GR-45110 Ioannina, Greece

[5] Aristotle Univ Thessaloniki, Fac Chem, Lab Appl Quantum Chem, GR-54006 Thessaloniki, Greece

来源：

INORGANICA CHIMICA ACTA | 2005年 / 358卷 / 05期

关键词：

phosphido; hydrido; trinuclear complexes;

D O I：

10.1016/j.ica.2004.04.006

中图分类号：

O61 [无机化学];

学科分类号：

070301 ; 081704 ;

摘要：

Treatment of{{(C6F5)(PPh3)Pt(mu-PPh2))(mu-H)}(2)Pt] (1) with I-2 results in a complicated reaction from which [{(C6F5)(PPh3)Pt(mu-PPh2)(mu-1)}(2)Pt] (2) is obtained. The X-ray structure and F-19 and P-31 NMR spectra are given. Density functional theory (DFT) at the B3LYP level, using the LANL2DZ basis set, provides a satisfactory description of structural, bonding, electronic and related properties of [{(CF3)(PH3)Pt(mu-PH2)(mu-H)}(2)Pt] and [{(CF3)(PH3)Pt(mu-PH2)(mu-1)}(2)Pt} model compounds. The results unambiguously justify the predictions of the through-ring bonding required by the number of framework electrons and threw light on the bonding mechanism in the "{(Pt(mu-X)(mu-PH2)}(2)Pt" (X=H, 1) nuclear framework of the compounds. (c) 2004 Elsevier B.V. All rights reserved.

引用

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页码：1377 / 1385

页数：9

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