Tricarbonyl rhenium complexes of bis(pyrazol-1-yl)methane and bis(3,5-dimethylpyrazol-1-yl)methane - Synthesis, spectroscopic characterization, X-ray structure and DFT calculations

被引：11

作者：

Machura, B. ^{[1
]}

Kruszynski, R. ^{[2
]}

Jaworska, M. ^{[3
]}

Lodowski, P. ^{[3
]}

Penczek, R. ^{[4
]}

Kusz, J. ^{[5
]}

机构：

[1] Univ Silesia, Inst Chem, Dept Crystallog, PL-40006 Katowice, Poland

[2] Tech Univ Lodz, Inst Gen & Ecol Chem, Dept Xray Crystallog & Crystal Chem, PL-90924 Lodz, Poland

[3] Uni Silesia, Inst Chem, Dept Theoret Chem, PL-40006 Katowice, Poland

[4] Univ Silesia, Inst Chem, Dept Inorgan & Coordinat Chem, PL-40006 Katowice, Poland

[5] Univ Silesia, Inst Phys, PL-40006 Katowice, Poland

来源：

POLYHEDRON | 2008年 / 27卷 / 06期

关键词：

rhenium(I) carbonyl complexes; X-ray structure; UV-Vis spectra; DFT calculations;

D O I：

10.1016/j.poly.2008.02.019

中图分类号：

O61 [无机化学];

学科分类号：

070301 ; 081704 ;

摘要：

Two novel tricarbonyl rhenium complexes based on the bidentate heterocyclic N-N ligands [bis(pyrazol-1-yl)methane(bpzm) and bis(3,5-dimethylpyrazol-1-yl)methane(bdmpzm)] have been synthesized by heating at reflux [Re(CO)(5)Cl] with the appropriate N-N ligand in toluene. The compounds have been characterized by IR and UV-Vis spectroscopy and X-ray analysis. Density functional theory (DFT) and time-dependent (TD) DFT calculations have been carried out for the (Re(CO)(3)(bdmpzm)Cl] complex. (C) 2008 Elsevier Ltd. All rights reserved.

引用

页码：1767 / 1778

页数：12

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