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http://dx.doi.org/10.1021/ic00137a040

has been cited by the following article:

• TITLE: Theoretical and Electrochemical Characterization of δ-RuCl2(Nazpy)2: Application to Oxidation of D-Glucose

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

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

  JOURNAL NAME: American Journal of Analytical Chemistry, Vol.7 No.1, January 22, 2016

  ABSTRACT: The heterogenized δ-RuCl2(Nazpy)2 deposited on carbon toray (CT) was studied for the first time as electrochemical catalyst. Before, it was characterized by visible-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 Nazpy that considerably reduces energy between d AOs of Ru represents the HOMO of the complex and π* is identified as the LUMO. Electrochemistry study shows two redox ranges in both negative and positive sides of the potential. The positive side that corresponds to the couple RuIV/RuIII of catalyst appears to be active for oxidation of D-glucose in carbonate buffer with a high turnover. Therefore, Keto-2-gluconic and gluconic acids were the two main products obtained with respectively 80% and 17.6% of selectivity. Moreover, a small amount of tartaric and glycol acids coming from the c-c bond cleavage due to non-protection of the anomeric carbon of D-glucose were also observed.