title: Resonance Raman and density functional theory investigation of the photodissociation dynamics of the A-band absorption of (E)-beta-nitrostyrene in cyclohexane solution.
abstract: Resonance Raman spectra were obtained for (E)-beta-nitrostyrene in cyclohexane solution with excitation wavelengths in resonance with the charge transfer (CT)-band absorption spectrum. These spectra indicate that the Franck-Condon region photodissociation dynamics have multidimensional character with motion predominantly along the nominal NO(2) symmetric stretch mode (nu(14)), the nominal C=C stretch mode (nu(8)), the nominal benzene ring stretch mode (nu(9)), accompanied by a smaller amount of motion along the nominal ONO symmetric bend/benzene ring stretch mode (nu(34)), the nominal CCH in-plane bending mode (nu(20)), the nominal HC=CH in-plane bending mode (nu(18)), the nominal NO(2) asymmetric stretch mode (nu(11)), the nominal C-N stretch/benzene ring breathing mode (nu(27)), and the nominal CCC trigonal bending mode (nu(25)). A preliminary resonance Raman intensity analysis was done and these results for (E)-beta-nitrostyrene were compared to results previously reported for several nitrobenzene and trans-stilbene compounds. The differences and similarities between the CT-band resonance Raman spectra and vibrational reorganizational energies for (E)-beta-nitrostyrene relative to those for nitrobenzene and trans-stilbene were briefly discussed.
authors.affiliation: State Key Laboratory of ATMMT (MOE), Department of Chemistry, Zhejiang Sci-Tech University, Hangzhou 310018, People's Republic of China.
authors.forename: Shu-Qiang
authors.initials: SQ
authors.lastname: Zhang
authors.forename: Hui-gang
authors.initials: HG
authors.lastname: Wang
authors.forename: Ke-Mei
authors.initials: KM
authors.lastname: Pei
authors.forename: Xuming
authors.initials: X
authors.lastname: Zheng
authors.forename: David Lee
authors.initials: DL
authors.lastname: Phillips