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Theoretical study of a vanadate peptide complex

✍ Scribed by B�hl, Michael

Publisher
John Wiley and Sons
Year
1999
Tongue
English
Weight
268 KB
Volume
20
Category
Article
ISSN
0192-8651

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✦ Synopsis

Ž . w Ž .Ž .Ž .x shifts GIAO-B3LYPrI are reported for selected VO OH OH glyglyЈ 2 w Ž .Ž .x Ž isomers, deprotonated forms thereof, and VO OH glyglyЈ glyglyЈ s . Ž 51 . H N-CH -CO-N-CH -COO . The ␦ V values are quite sensitive to 2 2 2

structural details in the first and second coordination spheres of the vanadium center. In the deprotonated forms, the water molecule is not bound to vanadium, suggesting that the coordination geometry about vanadium can be sensitive to the pH value.

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