Synthesis, crystal structure, DFT study and photocatalytic property of a new Ni(II) complex of a symmetric N2O4-donor bis-Schiff base ligand
作者: Hu WangXiangmin MengChuanbin FanYuhua FanCaifeng Bi
作者单位: 1Key Laboratory of Marine Chemistry Theory and Technology, Ministry of Education, College of Chemistry and Chemical Engineering, Ocean University of China, Qingdao, China
刊名: Journal of Molecular Structure, 2016, Vol.1107 , pp.25-30
来源数据库: Elsevier Journal
DOI: 10.1016/j.molstruc.2015.11.035
关键词: 12-bis(2-Methoxy-6-formylphenoxy)ethane2-aminoethanesulfonic acidNi(II) complexDFT studyPhotocatalytic activity
英文摘要: Abstract(#br)A new complex, Ni(C 22 H 26 N 2 O 10 S 2 )·2CH 3 OH, with a sexidentate (N 2 O 4 ) symmetric bis-Schiff base ligand (C 22 H 26 N 2 O 10 S 2 = 1,2-bis(2-methoxy-6-formylphenoxy)ethane-2-aminoethane-sulfonic acid) has been synthesized and characterized by physico-chemical and spectroscopic methods. The X-ray crystal structure shows that the Ni(II) atom of the complex is six-coordinated by two nitrogens from CN groups, two oxygens from ether groups and two hydroxyl oxygens from sulfonic acid groups in the mono-ligand, forming a distorted octahedral geometry. Theoretical study of the complex is carried out by density functional theory (DFT) method and the B3LYP method employing the 6-3l+G* basis set. Moreover, the complex proved to be good candidate for the...
全文获取路径: Elsevier  (合作)
影响因子:1.404 (2012)

  • crystal 晶体
  • II Interactive Interface
  • complex 超群
  • donor 给予体
  • structure 构造
  • study 学习
  • symmetric 对称的
  • property 所有权
  • DFT Diagnostic Function Test
  • ligand 配合体