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51 Solid-stae magic angle spinning NMR spectroscopy and DFT studies of oxovanadium complexes mimicking the active site of vanadium haloperoxidases
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51 Solid-stae magic angle spinning NMR spectroscopy and DFT studies of oxovanadium complexes mimicking the active site of vanadium haloperoxidases

Neela Pooransingh, Ekaterina Pomerantseva, Martin Ebel, Sven Jantzen, Dieter Rehder and Tatyana Polenova
Inorganic chemistry, Vol.42(4), p1256
24 Feb 2003

Abstract

Analysis Binding sites (Biochemistry) Chemical structure Density functionals Methods Nuclear magnetic resonance spectroscopy Usage
Results show that the magic angle spinning solid-state nuclear magnetic resonance spectroscopy is a sensitive method to probe the local geometry and electrostatic environment as evidenced by 11 oxovanadium(V) complexes mimicking active site characteristics of vanadium haloperoxidases. The specta provide electric field gradient and chemical-shielding anisotropy tensor measurements.

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