Synthesis, structure and molecular modeling of a ZnII-Phenolate complex as a model for ZnII-Containing tyrosinate metalloenzymes

Synthesis, structure and molecular modeling of a ZnII-Phenolate complex as a model for ZnII-Containing tyrosinate metalloenzymes

We describe herein the synthesis, crystal structure and ¹H NMR properties of the mononuclear [ZnII(L-Br)].2H2O complex containing the hexadentate H2L-Br ligand (H2L-Br = N,N'-bis-(5-bromo-2-hydroxybenzyl)-N,N '-bis-(pyridin-2-ylmethyl)-ethane-1,2-diamine). DFT calculations demonstrate very...

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Bibliographic Details
Main Authors: Lanznaster Mauricio, Neves Ademir, Vencato Ivo, Bortoluzzi Adailton J., Gallardo Hugo, Machado Sérgio P., Assumpção Aline Moreno Chagas
Format: Article
Language:English
Published: Sociedade Brasileira de Química 2006-01-01
Series:Journal of the Brazilian Chemical Society
Subjects:
ZnII-phenolate complex
crystal structure
1H NMR
DFT calculation
Online Access:http://www.scielo.br/scielo.php?script=sci_arttext&pid=S0103-50532006000200011

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