Zhang Shu-Qiang, Wang Hui-gang, Pei Ke-Mei, Zheng Xuming, Phillips David Lee
State Key Laboratory of ATMMT (MOE), Department of Chemistry, Zhejiang Sci-Tech University, Hangzhou 310018, People's Republic of China.
J Chem Phys. 2007 May 21;126(19):194505. doi: 10.1063/1.2736685.
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.
在环己烷溶液中，以与电荷转移（CT）带吸收光谱共振的激发波长，获得了（E）-β-硝基苯乙烯的共振拉曼光谱。这些光谱表明，弗兰克-康登区域光解离动力学具有多维特征，运动主要沿着标称的NO(2)对称拉伸模式（ν(14)）、标称的C=C拉伸模式（ν(8)）、标称的苯环拉伸模式（ν(9)）进行，同时伴随着沿标称的ONO对称弯曲/苯环拉伸模式（ν(34)）、标称的CCH面内弯曲模式（ν(20)）、标称的HC=CH面内弯曲模式（ν(18)）、标称的NO(2)不对称拉伸模式（ν(11)）、标称的C-N拉伸/苯环呼吸模式（ν(27)）以及标称的CCC三角弯曲模式（ν(25)）的较小运动量。进行了初步的共振拉曼强度分析，并将（E）-β-硝基苯乙烯的这些结果与先前报道的几种硝基苯和反式芪化合物的结果进行了比较。简要讨论了（E）-β-硝基苯乙烯相对于硝基苯和反式芪的CT带共振拉曼光谱和振动重组能之间的差异和相似性。
