Study on Thermodynamics of Three Kinds of Benzindocarbocyanine Dyes in Aqueous Methanol Solution

Aggregation behavior of three kinds of benzindocarbocyanine dyes in aqueous methanol solution was studied by UV-Vis absorption spectrum. The results indicated that the three dyes all existed monomer-dimer equilibrium in aqueous methanol solution (concentration range 10−5 to 10−6 M) at 25.0~41.0 °C f...

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Bibliographic Details
Published in:Bulletin of the Korean Chemical Society 2009, 30(3), , pp.556-560
Main Authors: Wei Huang, Lan-Ying Wang, Yi-Le Fu, Ji-Quan Liu, You-Ni Tao, Fang-Li Fan, Gao-Hong Zhai, Zhen-Yi Wen
Format: Article
Language:English
Subjects:
화학
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Summary:Aggregation behavior of three kinds of benzindocarbocyanine dyes in aqueous methanol solution was studied by UV-Vis absorption spectrum. The results indicated that the three dyes all existed monomer-dimer equilibrium in aqueous methanol solution (concentration range 10−5 to 10−6 M) at 25.0~41.0 °C for Dye 1, 28.0~49.0 oC for Dye 2 and 26.0~47.0 °C for Dye 3. The fundamental property of the three dyes as the dimeric association constant KD, the dimeric free energy ΔGD, the dimeric entropy ΔSD, and the dimeric enthalpy ΔHD were determined. The ΔHD of three dyes: Dye 1, Dye 2 and Dye 3 was -42.5, -15.1 and -18.9 kJ/mol, respectively. The experimental observations were the subject of a theoretical study including the ground-state geometries which were fully optimized using DFT at B3LYP/6-31G level. The effect of dye molecule structure on ΔHD was discussed by theoretical calculations. KCI Citation Count: 2
ISSN:0253-2964
1229-5949
DOI:10.5012/bkcs.2009.30.3.556