کد مقاله کد نشریه سال انتشار مقاله انگلیسی نسخه تمام متن
1306533 975094 2011 8 صفحه PDF دانلود رایگان
عنوان انگلیسی مقاله ISI
Multinuclear nuclear magnetic resonance and density functional theoretical studies on the structure of bisperoxovanadium complexes with bidentate donors
موضوعات مرتبط
مهندسی و علوم پایه شیمی شیمی معدنی
پیش نمایش صفحه اول مقاله
Multinuclear nuclear magnetic resonance and density functional theoretical studies on the structure of bisperoxovanadium complexes with bidentate donors
چکیده انگلیسی

Solid state and solution 51V and 13C NMR studies on four fundamental bisperoxovanadium complexes containing bidendate donor ligands were reported, together with DFT calculations of structural and NMR parameters. The 51V solid-state NMR characterization of the four complexes with [VO(O2)2L]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.

Solid state and solution 51V and 13C NMR studies on four bisperoxovanadium complexes containing bidendate donors were reported, together with DFT calculations of structural and NMR parameters. The results suggested that the ligands have an effect on the electric-field gradient tensor and the coordination of vanadium. The bonding between vanadium and coordination atoms influences the activity of bisperoxovanadium complexes.Figure optionsDownload as PowerPoint slide

ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Inorganica Chimica Acta - Volume 365, Issue 1, 15 January 2011, Pages 119–126
نویسندگان
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