title: Spectroscopic separation of the methyl internal-rotational isomers of thioanisole isotopomers (C6H5S-CH2D and C6H5S-CHD2).
abstract: Two distinct rotational isomers of thioanisole-d1 (C6H5S-CH2D) and thioanisole-d2 (C6H5S-CHD2) with respect to the internal rotation of the methyl moiety have been identified and characterized spectroscopically using the resonantly enhanced two photon ionization, UV-UV hole burning, and slow-electron velocity map imaging techniques. From the statistical weights, the definite assignment for the specific rotational isomer of each isotopomer has been successfully done, providing isomer-specific ionization energies and vibrational frequencies of S1/D0 states. Detailed molecular structures, the methyl internal-rotor barrier, and normal-mode descriptions for selective vibrations are discussed with the aid of density functional theory calculations.
authors.affiliation: Department of Chemistry, KAIST , Guseong-dong 373-1, Daejeon 305-701, Republic of Korea.
authors.forename: Jeongmook
authors.initials: J
authors.lastname: Lee
authors.forename: So-Yeon
authors.initials: SY
authors.lastname: Kim
authors.forename: Sang Kyu
authors.initials: SK
authors.lastname: Kim