title: Vibrational structure of n-π* transition of the UV absorption spectrum of acryloyl fluoride in the gas phase.
abstract: UV absorption spectrum of acryloyl fluoride molecule in the gas phase has been obtained in the region at 32600-35500 cm(-1) with the purpose of the investigation of the hindered internal rotation. The resolved vibrational structure of this spectrum consists of 92 absorption bands, each of which corresponds to a certain transition from the ground (S0) to excited (S1) electronic state. The assignment of all bands has been made. The values ν00trans=34831.8 cm(-1) and ν00cis=34679.2 cm(-1) have been determined. Several Deslandres Tables (DTs) have been constructed for torsional vibration of s-trans- and s-cis-isomers of investigated molecule. The origins in these DTs correspond to bands assigned to ν00 and to fundamental frequencies of each isomer in the S0 and S1 states. These DTs have been used to determine the harmonic frequencies ωe, anharmonicity coefficients x11, and frequencies of the torsional vibration transitions (0-υ) up to high values of the vibrational quantum number υ of s-trans- and s-cis-isomers in the both electronic states. The frequencies of torsional vibrations are ν1(″)=116.5cm(-1) for s-trans-isomer and ν1(″)=101.2 cm(-1) for s-cis-isomer in the S0 state. The frequencies of ones are ν1(')=170.4 cm(-1) for s-trans-isomer and ν1(')=139.7 cm(-1) for s-cis-isomer in the S1 state. The fundamental vibrational frequencies set has been found for isomers in the S0 and S1 states.
authors: Department of Chemistry, Lomonosov Moscow State University, Leninskie Gory 1, Bd. 3, Moscow 119991, Russia. Electronic address: koroleva@phys.chem.msu.ru.
authors: Lidiya A
authors: LA
authors: Koroleva
authors: Department of Chemistry, Lomonosov Moscow State University, Leninskie Gory 1, Bd. 3, Moscow 119991, Russia.
authors: Vladimir I
authors: VI
authors: Tyulin
authors: Department of Chemistry, Lomonosov Moscow State University, Leninskie Gory 1, Bd. 3, Moscow 119991, Russia.
authors: Vladimir K
authors: VK
authors: Matveev
authors: Department of Chemistry, Lomonosov Moscow State University, Leninskie Gory 1, Bd. 3, Moscow 119991, Russia.
authors: Yuriy A
authors: YA
authors: Pentin
mesh_terms: D004583:Electrons; D005459:Fluorides / Q000737:chemistry*; D005740:Gases / Q000737:chemistry; D007536:Isomerism; D011789:Quantum Theory; D013056:Spectrophotometry, Ultraviolet
chemical_list: D005740:Gases; D005459:Fluorides
keywords: Deslandres table; Excited electronic state S(1); Ground electronic state S(0); Hindered internal rotation; Torsional vibration frequency