Theoretical and Electrochemical Characterization of δ-RuCl2Nazpy2: Application to Oxidation of D-GlucoseReport as inadecuate




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The heterogenized δ-RuCl2Nazpy2 deposited on carbon toray CT was studiedfor the first time as electrochemical catalyst. Before, it was characterized byvisible-ultraviolet spectra and theoretically by TDDFT method at B3LYP-Lanl2DZ level.It displayed an MLCT t2geg → π* transition where t2geg due to the structure of Nazpythat considerably reduces energy between d AOs of Ru represents the HOMO of thecomplex and π* is identified as the LUMO. Electrochemistry study showstwo redox ranges in both negative and positive sides of the potential. The positiveside that corresponds to the couple RuIV-RuIII of catalystappears to be active for oxidation of D-glucose in carbonate buffer with a highturnover. Therefore, Keto-2-gluconic and gluconic acids were the two main productsobtained with respectively 80% and 17.6% of selectivity. Moreover, asmall amount of tartaric and glycol acids coming from the c-c bond cleavagedue to non-protection of the anomeric carbon of D-glucose were also observed.

KEYWORDS

DFT Calculation, HOMO-LUMO Analysis, NBO, Electrochemistry, Ruthenium Complex, D-Glucose

Cite this paper

Ouattara, W. , Bamba, K. , Ziao, N. and N’guessan, K. 2016 Theoretical and Electrochemical Characterization of δ-RuCl2Nazpy2: Application to Oxidation of D-Glucose. American Journal of Analytical Chemistry, 7, 57-66. doi: 10.4236-ajac.2016.71006.





Author: Wawohinlin Patrice Ouattara, Kafoumba Bamba*, Nahossé Ziao, Kouakou Nobel N’guessan

Source: http://www.scirp.org/



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