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- W2026231707 abstract "Abstract The microwave spectra of the two conformers ( cis and trans ) of 3-fluorobenzoyl fluoride in their ground states and in two excited torsional states have been assigned. Four different potential functions (with cosines only for symmetry reasons, and V n = 0, n ≥ 5) reproducing the experimentally observed inertial defect variations are discussed; they may be represented as ( V 1 / hc , V 2 / hc , V 3 / hc , V 4 / hc ) (cm −1 ) = I: (0, 2175, 56, −164); II: (−63, 2175, 63, −164); III: (0, 1519, 56, 0); and IV: (−63, 1519, 63, 0). In principle there are different barriers starting from cis and trans ; we have, however, chosen the value of V 2 (1519 cm −1 ) to represent the barrier for the sake of comparison with 4-fluorobenzoyl fluoride and the correspondingly substituted nitrobenzenes. This barrier does not fit in with the trend observed for 3- and 4-fluoronitrobenzene. The derived wavenumbers for the COF torsional mode of the cis and the trans form are, respectively, 52.29 and 56.24 cm −1 ." @default.
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- W2026231707 date "1988-05-01" @default.
- W2026231707 modified "2023-09-25" @default.
- W2026231707 title "Microwave spectrum and potential for internal rotation of 3-fluorobenzoyl fluoride" @default.
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- W2026231707 doi "https://doi.org/10.1016/0022-2852(88)90272-x" @default.
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