Syntheses, characterization, density functional theory calculations, and activity of tridentate SNS zinc pincer complexes
作者: John R. MiecznikowskiWayne LoMatthew A. LynnBrianne E. O’LoughlinAmanda P. DiMarzioAnthony M. MartinezLorraine LampeKathleen M. FoleyLauren C. KeilichGeorge P. LisiDaniel J. KwiecienCristina M. PiresWilliam J. KellyNathan F. KloczkoKaitlyn N. Morio
作者单位: 1Department of Chemistry and Biochemistry, Fairfield University, 1073 North Benson Road, Fairfield, CT 06824, USA
2Department of Chemistry, Boston College, 140 Commonwealth Avenue, Chestnut Hill, MA 02467, USA
3Department of Science and Mathematics, National Technical Institute for the Deaf, Rochester Institute of Technology, 52 Lomb Memorial Drive, Rochester, NY 14623, USA
刊名: Inorganica Chimica Acta, 2011, Vol.376 (1), pp.515-524
来源数据库: Elsevier Journal
DOI: 10.1016/j.ica.2011.07.021
关键词: SNS pincer ligandMononuclear Zn complexesX-ray crystallographyCyclic voltammetryDensity functional theory calculationsAldehyde reductions
英文摘要: Abstract(#br)A series of tridentate SNS ligand precursors were metallated with ZnCl 2 to give new tridentate SNS pincer zinc complexes. The zinc complexes serve as models for the zinc active site in liver alcohol dehydrogenase (LADH) and were characterized with single crystal X-ray diffraction, 1 H, 13 C, and HSQC NMR spectroscopies and electrospray mass spectrometry. The bond lengths and bond angles of the zinc complexes correlate well to those in horse LADH. The zinc complexes feature SNS donor atoms and pseudotetrahedral geometry about the zinc center, as is seen for liver alcohol dehydrogenase. The SNS ligand precursors were characterized with 1 H, 13 C, and HSQC NMR spectroscopies and cyclic voltammetry, and were found to be redox active. Gaussian calculations were performed and...
全文获取路径: Elsevier  (合作)
影响因子:1.687 (2012)