Tricarbonyl rhenium complex of 2,2′-bis(4,5-dimethylimidazole) - Synthesis, spectroscopic characterization, X-ray structure and DFT calculations

被引：14

作者：

Machura, B. ^{[1
]}

Switlicka, A. ^{[1
]}

Nawrot, I. ^{[1
]}

Michalik, K. ^{[2
]}

机构：

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

[2] Univ Silesia, A Chelkowski Inst Phys, Dept Med Phys, PL-40006 Katowice, Poland

来源：

INORGANIC CHEMISTRY COMMUNICATIONS | 2010年 / 13卷 / 11期

关键词：

Rhenium(I) carbonyl complexes; 2,2 '-bis(4,5-dimethylimidazole); X-ray structure; UV-Vis spectrum; DFT and TDDFT calculations; POLARIZABLE CONTINUUM MODEL; COPPER(II) COMPLEXES; ACID-BASE; AB-INITIO; IMIDAZOLE; DERIVATIVES; LIGAND;

D O I：

10.1016/j.inoche.2010.07.025

中图分类号：

O61 [无机化学];

学科分类号：

070301 ; 081704 ;

摘要：

The paper presents a combined experimental and computational study of the tricarbonyl rhenium(I) complex incorporating 2,2'-bis(4,5-dimethylimidazole) (tmbiimH(2)). The complex has been studied by IR, UV-Vis spectroscopy and X-ray crystallography. The electronic structure of [Re(CO)(3)(tmbiimH(2))Cl] has been calculated with the density functional theory (DFT) method, and the electronic spectrum of the complex was investigated at the TDDFT level employing B3LYP functional in combination with LANL2DZ. (C) 2010 Elsevier B.V. All rights reserved.

引用

页码：1317 / 1320

页数：4

共 50 条

[21] Synthesis, spectroscopic characterization, X-ray structure and DFT calculations of novel mononuclear Re(V) complex with imidazole-derived ligand [J].

Machura, B. ;

Wolff, M. ;

Palion, J. ;

Kruszynski, R. .

INORGANIC CHEMISTRY COMMUNICATIONS, 2011, 14 (09) :1358-1361

[22] Novel tricarbonyl rhenium complexes of 5,8-quinolinedione derivatives e Synthesis, spectroscopic characterisation, X-ray structure and DFT calculations [J].

Machura, B. ;

Switlicka, A. ;

Wolff, M. ;

Tabak, D. ;

Musiol, R. ;

Polanski, J. ;

Kruszynski, R. .

JOURNAL OF ORGANOMETALLIC CHEMISTRY, 2011, 696 (03) :731-738

[23] Novel p-tolylimido rhenium(V) complexes incorporating quinoline-2-carboxylate ion - Synthesis, X-ray studies, spectroscopic characterization and DFT calculations [J].

Machura, B. ;

Wolff, M. ;

Gryca, I. .

INORGANICA CHIMICA ACTA, 2011, 370 (01) :7-17

[24] A novel terpyridyl rhenium(II) complex - Synthesis, spectroscopic characterization and X-ray structure [J].

Machura, B. ;

Kruszynski, R. ;

Kusz, J. .

INORGANIC CHEMISTRY COMMUNICATIONS, 2007, 10 (08) :918-920

[25] Synthesis, spectroscopic characterization, X-ray structure and DFT calculations of [ReOCl2(8-Sqn)(OPPh3)] [J].

Machura, B. ;

Switlicka, A. ;

Wolff, M. ;

Kusz, J. .

STRUCTURAL CHEMISTRY, 2009, 20 (05) :911-918

[26] p-Tolylimido rhenium(V) complexes - Synthesis, X-ray studies, spectroscopic characterization and DFT calculations [J].

Machura, B. ;

Wolff, M. ;

Switlicka, A. ;

Gryca, I. .

POLYHEDRON, 2010, 29 (12) :2381-2392

[27] Synthesis, X-ray studies, spectroscopic characterization and DFT calculations of p-tolylimido rhenium(V) complexes bearing an imidazole-based ligand [J].

Machura, B. ;

Wolff, M. ;

Gryca, I. .

POLYHEDRON, 2011, 30 (01) :142-153

[28] fac-Tricarbonyl rhenium(I) complexes of 2-(alkylthio)-N-((pyridine-2-yl)methylene)benzenamine: Synthesis, spectroscopic characterization, X-ray structure and DFT calculation [J].

Jana, Mahendra Sekhar ;

Pramanik, Ajoy Kumar ;

Kundu, Subhankar ;

Sarkar, Deblina ;

Mondal, Tapan Kumar .

INORGANICA CHIMICA ACTA, 2013, 399 :138-145

[29] Nitrite-bonded nickel(II) complex of N-cyclohexyl-N-(2-pyridinylmethyl)amine; Synthesis, spectroscopic characterization, X-ray structure and DFT calculations [J].

Golchoubian, Hamid ;

Kocheksaraee, Shahnaz Khosravi ;

Moayyedi, Golasa .

POLYHEDRON, 2017, 123 :376-384

[30] N- and S-bonded thiocyanate copper(II) complexes of 2,6-bis-(benzimidazolyl)pyridine - Synthesis, spectroscopic characterization, X-ray structure and DFT calculations [J].

Machura, B. ;

Switlicka, A. ;

Penkala, M. .

POLYHEDRON, 2012, 45 (01) :221-228

← 1 2 3 4 5 →