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- W2034193639 endingPage "449" @default.
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- W2034193639 abstract "Molecular charge-transfer complexes (CT) between thiazoline-2-thione (THZ) and different σ- (I2) and π-acceptors (Tetracyanoethylene (TCNE), 2,3-dichloro-5,6-dicyano-1,4-benzoquinone (DDQ), and 2,3,5,6-tetrachloro-1,4-benzoquinone (CHL)) were investigated. UV–Vis absorption spectroscopy and theoretical calculations using both MP2/aug-cc-pVDZ-PP and B3LYP/6-311++G(d,p) level of theory were corroborated to study the nature of the stabilizing forces for THZ-I2, THZ–DDQ, THZ–TCNE, and THZ–CHL. Halogen bonding (XB) was the stabilizing attractive force in THZ-I2 and THZ–CHL whereas; hydrogen bonding (HB) was dominated in both THZ–TCNE, and THZ–DDQ complexes. Formation constant (K), extinction coefficient (ɛ), thermodynamic parameters such as enthalpy change (ΔH), entropy (ΔS), and Gibbs free energy (ΔG) were measured in different solvents." @default.
- W2034193639 created "2016-06-24" @default.
- W2034193639 creator A5054866656 @default.
- W2034193639 creator A5057413296 @default.
- W2034193639 creator A5066038882 @default.
- W2034193639 date "2015-02-01" @default.
- W2034193639 modified "2023-09-25" @default.
- W2034193639 title "Halogen vs hydrogen bonding in thiazoline-2-thione stabilization with σ- and π-electron acceptors adducts: Theoretical and experimental study" @default.
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- W2034193639 doi "https://doi.org/10.1016/j.saa.2014.08.077" @default.
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