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- W2000570914 abstract "The infrared (3500 to 20 cm−1) and Raman (3200 to 10 cm−1) spectra have been recorded for gaseous and solid cyclopropylcarbonyl chloride, c-C3H5CClO. Additionally, the Raman spectrum of the liquid has been recorded and qualitative depolarization values have been obtained. It has been determined that the conformer with the oxygen atom cis to the three-membered ring is the predominant form at ambient temperature in both the gaseous and liquid states but only the trans conformer is present in the spectra of the solid. From a temperature study of the Raman spectrum of the liquid an energy difference of 93 ± 20 cm−1 (267 cal mol−1) has been determined whereas the energy difference for the gaseous state was determined to be 297 ± 10 cm−1 (849 cal mol−1) from the infrared spectrum. The observed changes in ΔH in going from the gas to the liquid state indicates strong intermolecular association in the condensed phases which can account for the existence of the trans conformer in the solid state. The torsional mode has been tentatively assigned at 72 cm−1 in the far infrared spectrum of the vapor for the cis conformer, and for the trans conformer at ∼50 cm−1. From these frequencies and the ΔH for the gas, estimates are given for the values of the coefficients of the Fourier expansion of the potential function for internal rotation. The number of lattice modes observed in the infrared and Raman spectra of the solid indicates at least two molecules per primitive cell. A complete vibrational assignment is proposed for both conformers based on infrared band contours, depolarization values, and group frequencies. These results are compared to similar quantities in some related molecules." @default.
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- W2000570914 date "1983-06-01" @default.
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- W2000570914 title "Vibrational and conformational studies of cyclopropylcarbonyl chloride" @default.
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- W2000570914 doi "https://doi.org/10.1016/0022-2860(83)90025-x" @default.
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