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

被引:7
|
作者
Machura, B. [1 ]
Switlicka, A. [1 ]
Wolff, M. [1 ]
Tabak, D. [2 ]
Musiol, R. [2 ]
Polanski, J. [2 ]
Kruszynski, R. [3 ]
机构
[1] Silesian Univ, Inst Chem, Dept Crystallog, PL-40006 Katowice, Poland
[2] Silesian Univ, Inst Chem, Dept Organ Chem, PL-40006 Katowice, Poland
[3] Tech Univ Lodz, Inst Gen & Ecol Chem, Dept Xray Crystallog & Crystal Chem, PL-90924 Lodz, Poland
关键词
Rhenium(I) carbonyl complexes; 5,8-Quinolinedione derivatives; X-ray structure; UV-vis spectra; DFT calculations; CARBONYL-DIIMINE COMPLEXES; RADIOPHARMACEUTICALS; POTENTIALS; ELECTRON; LIGANDS; DENSITY; ANALOGS;
D O I
10.1016/j.jorganchem.2010.09.058
中图分类号
O61 [无机化学];
学科分类号
070301 ; 081704 ;
摘要
The molecular structure of 7-acetamido-2-methyl-quinoline-5,8-dione has been determined and the reactivity of 7-acetamido-2-methyl-quinoline-5,8-dione (1) and 6-acetamido-2-methyl-quinoline-5,8-dione (2) towards Re(CO)(5)Cl has been examined. Two novel tricarbonyl rhenium complexes, fac-[Re(CO)(3)(7-acetamido-2-methyl-quinoline-5,8-dione) Cl]center dot CHCl(3) (3 center dot CHCl(3)) and fac-[Re(CO)(3)(6-acetamido-2-methyl-quinoline-5,8-dione) Cl](2)center dot CHCl(3)(4 center dot CHCl(3)), have been synthesized and characterized spectroscopically and structurally. The electronic spectrum of 3 was investigated at the TDDFT level employing B3LYP functional in combination with LANL2DZ. (C) 2010 Elsevier B.V. All rights reserved.
引用
收藏
页码:731 / 738
页数:8
相关论文
共 50 条
  • [21] Novel Re(I) tricarbonyl complexes of chelating ligands with aromatic N-heterocycle ring and aliphatic amine donor - Synthesis, spectroscopic characterization, X-ray structure and DFT calculations
    Machura, B.
    Wolff, M.
    Gryca, I.
    Palion, A.
    Michalik, K.
    POLYHEDRON, 2011, 30 (13) : 2275 - 2285
  • [22] X-ray structure, spectroscopic characterisation and DFT calculations of the [Re(CO)3(dppt)Cl] complex
    Machura, B.
    Kruszynski, R.
    Kusz, J.
    POLYHEDRON, 2007, 26 (08) : 1590 - 1596
  • [23] A novel terpyridyl rhenium(II) complex - Synthesis, spectroscopic characterization and X-ray structure
    Machura, B.
    Kruszynski, R.
    Kusz, J.
    INORGANIC CHEMISTRY COMMUNICATIONS, 2007, 10 (08) : 918 - 920
  • [24] Synthesis, spectroscopic characterization, X-ray structure, and DFT calculations of [Cu(tppz)(SCN)2]
    Machura, B.
    Switlicka, A.
    Palion, J.
    Kruszynski, R.
    STRUCTURAL CHEMISTRY, 2013, 24 (01) : 89 - 96
  • [25] Synthesis, spectroscopic characterization, X-ray structure, and DFT calculations of [Cu(tppz)(SCN)2]
    B. Machura
    A. Świtlicka
    J. Palion
    R. Kruszynski
    Structural Chemistry, 2013, 24 : 89 - 96
  • [26] Novel p-tolylimido rhenium(V) complexes incorporating quinoline-2-carboxylate ion - Synthesis, X-ray studies, spectroscopic characterization and DFT calculations
    Machura, B.
    Wolff, M.
    Gryca, I.
    INORGANICA CHIMICA ACTA, 2011, 370 (01) : 7 - 17
  • [27] A novel tricarbonyl rhenium complex of 2,6-bis(pyrazo-1-yl)-pyridine-X-ray structure, spectroscopic characterization and DFT calculations
    Machura, B.
    Penczek, R.
    Kruszynski, R.
    POLYHEDRON, 2007, 26 (12) : 2470 - 2476
  • [28] Synthesis, X-ray Crystallography, and DFT Calculations of A Novel Phosphoramide
    Shariatinia, Zahra
    Dusek, Michal
    Eigner, Vaclav
    ZEITSCHRIFT FUR ANORGANISCHE UND ALLGEMEINE CHEMIE, 2014, 640 (14): : 2945 - 2955
  • [29] Novel rhenium(III) complexes with the picolinate ligand: Synthesis, spectroscopic investigations, X-ray structures and DFT calculations for [ReX2(pic)(PPh3)2] complexes
    Machura, B.
    Wolff, M.
    Kruszynski, R.
    Mrozinski, J.
    Kusz, J.
    POLYHEDRON, 2009, 28 (12) : 2377 - 2384
  • [30] Synthesis, X-ray Structure, Spectroscopic Properties and DFT Studies of a Novel Schiff Base
    Chen, Kew-Yu
    Tsai, Hsing-Yang
    INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES, 2014, 15 (10): : 18706 - 18724