title: [Laser-induced fluorescence of 1-methylnaphthalene in a supersonic jet expansion].
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.
authors.affiliation: Department of Chemistry, Beijing Normal University, Beijing 100875, China. wanglufei714@163.com
authors.forename: Lu-Fei
authors.initials: LF
authors.lastname: Wang
authors.forename: Qi-Jun
authors.initials: QJ
authors.lastname: Wu
authors.forename: Li-Li
authors.initials: LL
authors.lastname: Zu