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

Abstract

Abstract As a first example in a series of substituted thiiranes we present an investigation of the nuclear quadrupole coupling in 33S-methylthiirane in natural abundance. The rotational and quadrupole coupling constants are: A = 11 599.0976(18) MHz, B = 4815.6822(6)MHz, C = 3909.1318 (5) MHz, χaa = -12.7731 (82) MHz, χbb = -20.3366(118) MHz, χcc = 33.1097(273) MHz.