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- W1982190708 abstract "► The vibrational assignments of 3-amino-2-cyclohexen-1-one were carried out. ► The Franck–Condon region structural dynamics were obtained. ► The absorption spectrum and absolute resonance Raman cross-sections were simulated. ► Modulation of S π / S n vibronic coupling or curve crossing by solvents was studied. FT-Raman and/or FT-IR spectra of 3-amino-2-cyclohexen-1-one (ACyO) in solid state and/or in solvents of water and acetonitrile were obtained. Density functional theory calculations were done to help elucidate the vibrational band assignments. The A-band resonance Raman spectra of ACyO were acquired in water and acetonitrile solvents to examine the excited state structural dynamics and the state-mixing or curve-crossing tuned by solvents. A preliminary resonance Raman intensity analysis using the time-dependent wave-packet theory and simple model was done for ACyO in acetonitrile solvent. Resonance Raman spectroscopic probing of the excited state curve-crossing or state-mixing was proposed." @default.
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- W1982190708 date "2012-01-01" @default.
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- W1982190708 title "Resonance Raman and density functional study of the excited state structural dynamics of 3-amino-2-cyclohexen-1-one in water and acetonitrile solvents" @default.
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- W1982190708 doi "https://doi.org/10.1016/j.saa.2011.09.055" @default.
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