title: Influences of the propyl group on the van der Waals structures of 4-propylaniline complexes with one and two argon atoms studied by electronic and cationic spectroscopy.
abstract: 4-propylaniline complexes with one and two argon atoms formed in the molecular beam were studied in the first excited electronic state, S1, using resonance enhanced two-photon ionization spectroscopy and in the cation ground state, D0, using mass analyzed threshold ionization spectroscopy. The combination of electronic and cationic spectra of the clusters allows two conformations to be identified in both aniline-Ar1 and aniline-Ar2, which are assigned to either the gauche configuration or anti-configuration of 4-propylaniline. The gauche isomer exhibits complex bands shifted 29 cm(-1) and 89 cm(-1) from the S1 origin bands and 83 cm(-1) and 148 cm(-1) from the ionization potential assigned to the Ar1 and Ar2 complexes, respectively. For the anti-rotamer, the corresponding shifts actually become nearly additive, 53 cm(-1) and 109 cm(-1) for the S1 origin bands, and 61 cm(-1) and 125 cm(-1) for the ionization potentials. Ab initio calculations provide insights into the influences of the propyl and amino groups on the positions of the argon atoms within the clusters. In addition, the binding energy of one argon with the gauche isomer of 4-propylaniline has been measured to be 550 ± 5 cm(-1) in the D0 state, 496 ± 5 cm(-1) in the S1 state, and 467 ± 5 cm(-1) in the neutral ground state, S0.
authors.affiliation: School of Basic Medical Sciences, Xinxiang Medical University, Xinxiang, Henan 453003, China.
authors.forename: Zhijun
authors.initials: Z
authors.lastname: Yang
authors.affiliation: School of Basic Medical Sciences, Xinxiang Medical University, Xinxiang, Henan 453003, China.
authors.forename: Quanli
authors.initials: Q
authors.lastname: Gu
authors.affiliation: Chemistry Department, University of Virginia, Charlottesville, Virginia 22904, USA.
authors.forename: Carl O
authors.initials: CO
authors.lastname: Trindle
authors.affiliation: Chemistry Department, Wesleyan University, Middletown, Connecticut 06459, USA.
authors.forename: J L
authors.initials: JL
authors.lastname: Knee
mesh_terms: D000814:Aniline Compounds / Q000737:chemistry*; D001128:Argon / Q000737:chemistry*; D001554:Benzene / Q000737:chemistry; D002412:Cations / Q000737:chemistry; D007536:Isomerism; D008956:Models, Chemical; D010636:Phenols / Q000737:chemistry; D013057:Spectrum Analysis
chemical_list: C000606609:4-propylaniline; D000814:Aniline Compounds; D002412:Cations; D010636:Phenols; D001128:Argon; D001554:Benzene; C023650:aniline