Abstract：Laser-induced fluorescence excitation spectrum of S0→S1 transition of 1-methylnaphthalene was obtained in supersonic jet condition. Theoretical calculations were conducted to study the geometry and energy of 1-methylnaphthalene at the ground and first excited state. Geometry optimization for the ground state was performed by DFT/B3LYP methods using 6-311++G(d,p) basis set. CIS/6-311++G(d,p) method was used to study the excited state. The excitation spectrum of 1-methylnaphthalene was assigned with the help of calculated vibrational frequencies and vertical excitation energies predicted by TDDFT method. It was found that the oscillator strength of the S0→S1 transition was enhanced by substituting a hydrogen atom of naphthalene with the methyl group although the Herzberg-Teller vibronic coupling effect still existed.
王录飞，吴其俊，祖莉莉* . 1-甲基萘的振动分辨激光诱导荧光光谱研究[J]. 光谱学与光谱分析, 2011, 31(11): 2965-2968.
WANG Lu-fei, WU Qi-jun, ZU Li-li*. Laser-Induced Fluorescence of 1-Methylnaphthalene in a Supersonic Jet Expansion . SPECTROSCOPY AND SPECTRAL ANALYSIS, 2011, 31(11): 2965-2968.
