VIBRATIONAL SPECTRUM, FORCE FIELD, AND TORSIONAL POTENTIAL FUNCTION OF MONOTHIOFORMIC ACID

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1979

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Ohio State University

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In the infrared spectrum of the isotopic species $HCOSH, H^{23}COSH, HC^{18}OSH, DCOSH$ and HCOSD most of the fundamental vibrations have been identified for both the cis and trans rotamers. Force field calculations were carried out using as supplementary data the centrifugal distortion constants of the above five isotopic species as well as $HCO^{34}SH$. From the torsional fundamental vibration of the two rotamers and the energy interval between the ground states of the two rotamers, from microwave relative intensity $measurements,^{1}$ the torsional barrier has been found to be $3530 cm^{-1} = 42.2$ kJ/mol.

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$^{1}$W. H. Hocking and G. Winnewisser, 2. Naturforsch. 32a, 1108-1118 (1977).
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