Multinuclear nuclear magnetic resonance and density functional theoretical studies on the structure of bisperoxovanadium complexes with bidentate donors

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	Multinuclear nuclear magnetic resonance and density functional theoretical studies on the structure of bisperoxovanadium complexes with bidentate donors
	Zeng, B. R. ; Fu, R. Q. ; Cai, S. H. ; Zhang, J. ; Chen, Z. ; Chen Z(陈忠)
刊名	http://dx.doi.org/10.1016/j.ica.2010.08.036
	2011-01-15
关键词	SPINNING NMR-SPECTROSCOPY BIOACTIVE PEROXOVANADIUM COMPLEXES SOLID-STATE VANADIUM(V) COMPLEXES AQUEOUS-SOLUTION SUPRAMOLECULAR INTERACTIONS OXOVANADIUM(V) COMPLEXES CRYSTAL-STRUCTURE DIPEROXOVANADATE LIGANDS
英文摘要	Science Research Foundation of Ministry of Health & United Fujian Provincial Health and Education Project for Tackling the Key Research [WKJ2008-2-36]; National Natural Science Foundation of China [10774125, 20921120405]; NSF [DMR-0654118]; State of Flori; Solid state and solution (51)V and (13)C NMR studies on four fundamental bisperoxovanadium complexes containing bidendate donor ligands were reported, together with DFT calculations of structural and NMR parameters. The (51)V solid-state NMR characterization of the four complexes with [VO(O(2))(2)L](n) anion {abbr. bpVL, where L = oxalic acid dianion (ox), pyridine-2-carboxylic acid (pic), bipyridine (bipy), and 1,10-phenanthroline (phen)} show that the ligands have a significant effect on the electric-field gradient tensor, with the quadrupolar coupling constant ranging from 4.0 to 5.8 MHz. The experimental and theoretical results suggest that the vanadium center of bpVpic, bpVphen and bpVbipy in solid state and aqueous solution are all seven-coordinated except that bpVox is six-coordinated in aqueous solution. The steric space hindrance of the organic ligands and the bonding between vanadium with the coordination influences the activity of bpVL complexes. (C) 2010 Elsevier B.V. All rights reserved.
语种	英语
内容类型	期刊论文
源URL	[http://dspace.xmu.edu.cn/handle/2288/70089]
专题	物理技术－已发表论文
推荐引用方式 GB/T 7714	Zeng, B. R.,Fu, R. Q.,Cai, S. H.,et al. Multinuclear nuclear magnetic resonance and density functional theoretical studies on the structure of bisperoxovanadium complexes with bidentate donors[J]. http://dx.doi.org/10.1016/j.ica.2010.08.036,2011.
APA	Zeng, B. R.,Fu, R. Q.,Cai, S. H.,Zhang, J.,Chen, Z.,&陈忠.(2011).Multinuclear nuclear magnetic resonance and density functional theoretical studies on the structure of bisperoxovanadium complexes with bidentate donors.http://dx.doi.org/10.1016/j.ica.2010.08.036.
MLA	Zeng, B. R.,et al."Multinuclear nuclear magnetic resonance and density functional theoretical studies on the structure of bisperoxovanadium complexes with bidentate donors".http://dx.doi.org/10.1016/j.ica.2010.08.036 (2011).