Docking studies to evaluate the biological activities of the Co(II) and Ni(II) complexes containing the triazine unit: supported by structural, spectral, and theoretical studies
作者: Farzin MarandiKeyvan MoeiniAkbar ArkakZahra MardaniHarald Krautscheid
作者单位: 1Inorganic Chemistry Department, Faculty of Chemistry , Urmia University , Urmia , I. R. Iran
2;Chemistry Department , Payame Noor University , Tehran , I. R. Iran
3;Institut für Anorganische Chemie , Universität Leipzig , Leipzig , Germany
刊名: Journal of Coordination Chemistry, 2018, Vol.71 (23), pp.3893-3911
来源数据库: Taylor & Francis Journal
DOI: 10.1080/00958972.2018.1543871
关键词: TriazineCobaltNickelDFT calculationsDocking studies
原始语种摘要: Abstract(#br)Two complexes of 5,6-di(2-furyl)-3-(2-pyridyl)-1,2,4-triazine (L), [Co(L)2(NO3)2] (1(#br)), and [Ni(L)2(NO3)2] (2(#br)), were prepared and identified along with L by elemental analysis, FT-IR, UV-Vis, and 1H NMR spectroscopies and single-crystal X-ray diffraction. All coordination modes of the 1,2,4-triazine unit and also of the nitrato ligand in coordination with cobalt and nickel atoms were studied by analysis of the Cambridge Structural Database (CSD) to compare with the new results. X-ray structure analysis of complexes 1(#br) and 2(#br) revealed that the metal atom in both complexes has an octahedral geometry with MN4O2 environment (M: Co (1(#br)), Ni (2(#br))). The ligand...
全文获取路径: Taylor & Francis  (合作)
影响因子:1.801 (2012)

  • triazine 三嗪
  • II Interactive Interface
  • supported 支承的
  • spectral 谱的
  • complexes 联合企业
  • pyridyl 氮苯基
  • furyl 呋喃基
  • uncoordinated 不同等的
  • membered 有肢的
  • stacking 堆积