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http://dx.doi.org/10.5764/TCF.2009.21.5.035

Electrochemical Studies on Heptamethine Cyanine Dyes  

Kim, Young-Sung (BK 21 FTIT, Department of Organic Materials and Textile System Engineering, Chungnam National University)
Shin, Jong-Il (Chemical Biotechnology Research Center, Korea Research Institute of Chemical Technology)
Park, Soo-Youl (Chemical Biotechnology Research Center, Korea Research Institute of Chemical Technology)
Jun, Kun (Chemical Biotechnology Research Center, Korea Research Institute of Chemical Technology)
Son, Young-A (BK 21 FTIT, Department of Organic Materials and Textile System Engineering, Chungnam National University)
Publication Information
Textile Coloration and Finishing / v.21, no.5, 2009 , pp. 35-40 More about this Journal
Abstract
Computational calculations of molecular orbital and electrochemical redox/oxidation potentials are of very importance to determine the compound properties. The energy levels of molecular orbital were calculated by the density function theory (DFT) with exchange correction functional of local density approximation (LSA) based on the Perdew-Wang (PWC) setting and cyclic voltammetry.
Keywords
cyclic voltammetry; molecular modeling; heptamethinecyanine; electrochemical study; redox potential; oxidation potential;
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