Enhanced interaction of molecular oxygen with amino acid complexes of silver and gold clusters

TitleEnhanced interaction of molecular oxygen with amino acid complexes of silver and gold clusters
Publication TypeJournal Article
Year of Publication2014
AuthorsManzoor, D, Pal, S
JournalIndian Journal of Chemistry Section A-Inorganic Bio-Inorganic Physical Theoretical & Analytical Chemistry
Volume53
Issue8-9
Pagination996-1000
Date PublishedAUG
Type of ArticleArticle
ISSN0376-4710
KeywordsAmino acid complexes, Density functional calculations, Gold clusters, Metal clusters, Silver clusters, Theoretical chemistry
Abstract

Density functional theory calculations have been carried out to study the effect of amino acid adsorption on the reactivity of silver and gold clusters with molecular oxygen. It is found that the amino acids glycine and alanine form stable complexes with both Ag-4 and Au-4 clusters. However, the extent of interaction is more in the case of the Au-4 cluster, as reflected from the increase in binding energy in the amino acid Au-4 complexes. Our results confirm that the adsorption of amino acids glycine and alanine enhances the reactivity of Ag-4 and Au-4 clusters towards O-2 molecule. The enhanced reactivity of O-2 molecule towards the amino acid metal cluster complexes is manifested by an increase in the O-2 binding energy and a decrease in the M-O (M = Ag, Au) bond length. Moreover, it is found that the co-adsorption of amino acids and O-2 molecule on the Ag-4 and Au-4 clusters is cooperative.

Type of Journal (Indian or Foreign)

IndianĀ 

Impact Factor (IF)

0.84

Divison category: 
Organic Chemistry