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- W2370783913 abstract "The geometric structures,electronic structure,and thermodynamic properties of N,N’-(1,3-Phenylene)bis(7-(diethylamino)-coumarin-3-carboxamide) coumarin molecule were studied by quantum chemistry theory.The results show that the molecule’s energy is lowest and structure is the most stable when three rings of this molecule are almost in the same plane.In gas,absorption wavelength of the lowest energy excitation was obtained at 428 nm,solvents made it blue-shifted about 20 nm.At 298.15 k,the standard molar formed enthalpy and free energy of the title compound molecule were 4729.63 kJ mol-1 and 5561.27 kJ mol-1 respectively." @default.
- W2370783913 created "2016-06-24" @default.
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- W2370783913 date "2013-01-01" @default.
- W2370783913 modified "2023-09-25" @default.
- W2370783913 title "The theoretic study of N,N’-(1,3-Phenylene) bis(7-(diethylamino)-coumarin-3-carboxamide) coumarin molecule structure、spectrum and thermodynamic properties" @default.
- W2370783913 hasPublicationYear "2013" @default.
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