Phosphinoarylthiolato molybdenum and iron complexes [M{(SC6H4-2-PPh2)-κ2S,P}2 (CO)2] (M = Mo, Fe): Analogous composition - Different structure

被引：2

作者：

Valean, Ana-Maria ^{[1
,2
]}

Gomez-Ruiz, Santiago ^{[2
,3
]}

Lupan, Alexandru ^{[1
]}

Silaghi-Dumitrescu, Radu ^{[1
]}

Silaghi-Dumitrescu, Luminita ^{[1
]}

Hey-Hawkins, Evamarie ^{[2
]}

机构：

[1] Univ Babes Bolyai, Fac Chem & Chem Engn, RO-400084 Cluj Napoca, Romania

[2] Univ Leipzig, Inst Anorgan Chem, D-04103 Leipzig, Germany

[3] Univ Rey Juan Carlos, Dept Quim Inorgan & Analit, E-28933 Mostoles, Madrid, Spain

来源：

INORGANICA CHIMICA ACTA | 2013年 / 394卷

关键词：

Phosphinoarylthiolato-molybdenum complex; Phosphinoarylthiolato-iron complex; Trigonal prism; cis-trans geometries; Stereochemical isomers; DIIRON DITHIOLATE COMPLEXES; TRANSITION-METAL-COMPLEXES; ACTIVE-SITE; MOLECULAR-STRUCTURE; CRYSTAL-STRUCTURE; ONLY HYDROGENASE; THIOLATE COMPLEX; DERIVATIVES; LIGANDS; CHEMISTRY;

D O I：

10.1016/j.ica.2012.05.041

中图分类号：

O61 [无机化学];

学科分类号：

070301 ; 081704 ;

摘要：

The molecular structures of the phosphinoarylthiolato molybdenum and iron complexes [Mo{(SC6H4-2-PPh2)-kappa S-2,P}(2)(CO)(2)] (1) and [Fe{(SC6H4-2-PPh2)-kappa S-2,P}(2)(CO)(2)] (2) are reported. They both have a central hexacoordinate metal(II) cation, but compound 1 has a trigonal-prismatic geometry with both CO and both thiolato groups in cis arrangement, while iron(II) complex 2 displays a pseudo-octahedral structure with both CO, both phosphino and both thiolato groups in trans arrangement. This is in a good agreement with DFT calculations, which showed that the different coordination geometry of molybdenum and iron in complexes 1 and 2 is a consequence of the number of d electrons (electronic factor) combined with the geometrical factors. (C) 2012 Elsevier B. V. All rights reserved.

引用

页码：289 / 294

页数：6