Two novel rhenium complexes derived from [ReO(OMe)Cl2(dpphen)] - Synthesis, crystal structure, spectroscopic and magnetic properties

被引：10
作者：
Machura, B. [1 ]
Wolff, M. [1 ]
Gryca, I. [1 ]
Mrozinski, J. [2 ]
机构：
[1] Univ Silesia, Inst Chem, Dept Crystallog, PL-40006 Katowice, Poland
[2] Univ Wroclaw, Fac Chem, PL-50383 Wroclaw, Poland
来源：
POLYHEDRON | 2011年 / 30卷 / 02期
关键词：
Re(III) and Re(IV) complexes; 4,7-diphenyl-1,10-phenanthroline; X-ray structure; Electronic structure; OFT calculations; OXYGEN-ATOM TRANSFER; COORDINATION CHEMISTRY; SPACER LENGTH; (REO)-O-V; SUBSTITUTION; DIPHOSPHINES; MOLECULES;
D O I：
10.1016/j.poly.2010.10.025
中图分类号：
O61 [无机化学];
学科分类号：
070301 ; 081704 ;
摘要：
The reaction of [ReO(OMe)Cl-2(dpphen)] (dpphen = 4,7-diphenyl-1,10-phenanthroline) with triphenylphosphine has been examined and two novel rhenium complexes - [(ReCl3)-Cl-III(dpphen)(PPh3)center dot Me2CO (1) and [(ReCl4)-Cl-IV(dpphen)]center dot CHCl3 (2) - have been obtained. The compounds have been characterised by elemental analysis, IR. UV-Vis spectroscopy, magnetic measurements and X-ray crystallography. The electronic structures of [ReCl3(dpPhen)(PPh3)] and [ReCl4(dpphen)] have been studied by DFT/B3LYP level calculations, and TO-OFT calculations have been employed for discussion of the electronic spectra in more detail. The magnetic behaviour of 1 is characteristic of mononuclear complexes with d(4) low-spin octahedral Re(III) complexes (T-3(1g) ground state) and arise because of the large spin-orbit coupling (zeta = 2500 cm(-1)), which gives diamagnetic ground state. For complex 2 the results of calculations revealed value of zero-field splitting parameter D = 10.8 cm(-1), g(parallel to) = 2.49 and g(perpendicular to) = 1.51. (C) 2010 Elsevier Ltd. All rights reserved.
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页码：354 / 363
页数：10
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