title: Rotamers of 3,4-difluoroanisole studied by two-color resonant two-photon mass-analyzed threshold ionization spectroscopy.
abstract: We reported the vibronic and cation spectra of 3,4-difluoroanisole. The band origins of the S(1) ←S(0) electronic transition of the cis and trans rotamers appear at 35,505 ± 2 and 35,711 ± 2 cm(-1) and the adiabatic ionization energies are determined to be 67,780 ± 5 and 68,125 ± 5cm(-1), respectively. Most of the observed active vibrations in the electronically excited S(1) and cationic ground D(0) states mainly involve in-plane ring deformation and substituent-sensitive bending vibrations. Analysis of the obtained vibronic and cation spectra suggests that the molecular geometry, symmetry, and vibrational coordinates of the cation in the D(0) state are like those of the neutral species in the S(1) state for these two isomeric species.
authors.affiliation: Institute of Atomic and Molecular Sciences, Academia Sinica, P.O. Box 23-166, 1, Section 4, Roosevelt Road, Taipei 10617, Taiwan.
authors.forename: Yanqi
authors.initials: Y
authors.lastname: Xu
authors.forename: Sheng Yuan
authors.initials: SY
authors.lastname: Tzeng
authors.forename: Bing
authors.initials: B
authors.lastname: Zhang
authors.forename: Wen Bih
authors.initials: WB
authors.lastname: Tzeng
mesh_terms: D000840:Anisoles / Q000737:chemistry*; D002412:Cations / Q000737:chemistry; D054879:Halogenation; D007536:Isomerism; D013058:Mass Spectrometry / Q000379:methods; D008958:Models, Molecular; D017785:Photons
chemical_list: D000840:Anisoles; D002412:Cations