The ³³S Nuclear Quadrupole Coupling in the Rotational Spectrum of Methylthiirane

Abstract

As a first example in a series of substituted thiiranes we present an investigation of the nuclear quadrupole coupling in 33 S-methylthiirane in natural abundance. The rotational and quadrupole coupling constants are: A = 11 599.0976 (18)

Analysis of Internal Rotation and Determination of the Heavy Atom Structure of anti-2,3-Dimethylthiirane by Fourier Transform Microwave Spectroscopy

“…A similar study of internal rotation and structure was undertaken at the University of Valladolid in cooperation with Kiel concerning methylthiirane, CH3C2H3S [6], additionally the hfs analysis of the 33 S methylthiirane is currently performed [7].…”

Rotational spectra, internal rotation analysis, dipole moment and structure of methylthiirane

“…In Table 8 we have included the rotational constants taken from an analysis of rotational spectrum of the 33S isotopomer. 29 We have determined the structure of the molecular heavy r s atom frame with KraitchmanÏs equations.30 The o x o coordinate for each atom is given by the following expression :…”

The 33S Nuclear Quadrupole Coupling in the Rotational Spectrum of anti-2,3-Dimethylthiirane

“…The present communication aims at the nuclear quadrupole coupling of the 33 S isotopomer, measured in natural abundance. The nuclear quadrupole coupling tensor contains data on the S-C bonds in the thiirane ring and together with supplementary work on methylthiirane [2], CH 3 -C 2 H 3 S, 2,2-dimethylthiirane, (CH 3 ) 2 -C 2 H 2 S, and thiirane, C 2 H 4 S, we hope to get information on the effect of the methyl substitution of the thiirane ring. The results will also serve as experimental background for quantum chemical calculations [3].…”