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• W2081133456 endingPage "304" @default.
• W2081133456 startingPage "285" @default.
• W2081133456 abstract "Abstract Ar matrix i.r. spectra of gauche and trans 1,2-difluoroethane -d0 and -d4, and of butadiene-113C, -1,4-13C2, and -d6 generated from thermal molecular beams with Knudsen cell temperatures between 300 and 850 K are reported. It is shown that the conformers of the haloethane (gauche and trans) and the diene (trans and cis) are trapped in the matrix. For 1,2-difluoroethane the potential function to internal rotation is derived from the far i.r. gas spectrum. Basing on matrix spectra and data available on gas spectra and normal coordinate analysis approximations to the harmonic potential of the conformations of CH2FCH2F, CH2ClCH2Cl and CH2:CHCH:CH2 are derived. From van't Hoff plots of the concentration ratio of CH2FCH2F gauche and trans conformations the enthalpy ΔH(T0)≈ 207(30) cm−1 is derived. By comparison of the equilibrium constant of the gauche → cis conversion calculated from statistical thermodynamics with the observed concentration ratio it is shown that the trapping process of the thermal molecular beam in the matrix occurs with essentially no thermal relaxation of the unstable conformer." @default.
• W2081133456 created "2016-06-24" @default.
• W2081133456 creator A5023859918 @default.
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• W2081133456 date "1981-01-01" @default.
• W2081133456 modified "2023-09-24" @default.
• W2081133456 title "Trapping of unstable conformations from thermal molecular beams in argon matrices: 1,2-difluoroethane and 1,3-butadiene, i.r. spectra and conformer equilibria" @default.
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• W2081133456 doi "https://doi.org/10.1016/0584-8539(81)80159-6" @default.
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