Journal of Molecular Structure

The structure of methyl fluoroformate from microwave spectroscopy and AB initio calculations

P Groner, CL Tolley, JR Durig

Index: Groner, P.; Tolley, C. L.; Durig, J. R. Journal of Molecular Structure, 1990 , vol. 223, p. 471 - 480

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Citation Number: 11

Abstract

Abstract The microwave spectra of three isotopic species of methyl fluoroformate, CD 3 OCFO, CD 2 HOCFO and CH 3 18 OCFO have been measured and assigned. A barrier to internal rotation of 372±2 cm− 1 has been obtained for three symmetric internal rotor species from internal rotation analyses. The rotational constants from five isotopic species have been used to determine an r 0 structure for the s-trans conformer (methyl group trans to fluorine) ...