Synthesis, characterization, density functional theory calculations, and activity of a thione-containing NNN-bound zinc pincer complex based on a bis-triazole precursor
作者: John R. MiecznikowskiJerry P. JasinskiMatthew A. LynnSwapan S. JainElizabeth E. ButrickAnne Elise R. DrozdoskiKerry A. ArcherJason T. Panarra
作者单位: 1Department of Chemistry and Biochemistry, Fairfield University, 1073 North Benson Road, Fairfield, CT 06824, USA
2Department of Chemistry, Keene State College, 229 Main Street, Keene, NH 03435-2001, USA
3Department of Science and Mathematics, National Technical Institute for the Deaf, Rochester Institute of Technology, 52 Lomb Memorial Drive, Rochester, NY 14623, USA
4Department of Chemistry, Bard College, P.O. Box 5000, Annandale-on-Hudson, NY 12504-5000, USA
刊名: Inorganica Chimica Acta, 2013, Vol.394 , pp.310-321
来源数据库: Elsevier Journal
DOI: 10.1016/j.ica.2012.07.009
关键词: NNN pincer ligandMononuclear Zn complexesX-ray crystallographyCyclic voltammetryDensity functional theory calculationsAldehyde reductions
英文摘要: Abstract(#br)A novel ambidentate tridentate pincer ligand based on a bis-triazole precursor, was prepared, characterized, and metallated with ZnCl 2 to give a new tridentate NNN-bound pincer zinc(II) pincer complex: dichloro(η 3 - N , N , N )-[2,6-bis(3-[ N -butyl]triazol-5-thione-1-yl)]pyridinezinc(II), [(NNN)ZnCl 2 ]. This compound has pseudo-trigonal bipyramidal geometry at the zinc(II) center and exhibits metal–ligand binding that contrasts with our previously reported SNS-bound systems despite the availability of these same donor atoms in the current ligand set. The zinc complex was characterized with single crystal X-ray diffraction, 1 H, 13 C, and HSQC NMR spectroscopies, and electrospray mass spectrometry. The ligand precursors were characterized with 1 H, 13 C, and HSQC NMR...
全文获取路径: Elsevier  (合作)
影响因子:1.687 (2012)

  • pincer 
  • complex 超群
  • precursor 前驱物质
  • functional 功能的
  • density 密度
  • containing 包含的
  • triazole 三唑
  • bound 
  • theory 理论
  • based 基于