Type of Document	Dissertation
Author	Jo, Oksik
URN	etd-09202005-090953
Title	Determination of the molecular structure of Sulphonyl Chloride Isocyanate using microwave spectroscopy
Degree	PhD
Department	Chemistry
Advisory Committee	Advisor Name Title Graybeal, Jack D. Committee Chair Merola, Joseph S. Committee Member Schug, John C. Committee Member Viers, Jimmy W. Committee Member Wightman, James P. Committee Member
Keywords	Microwave spectroscopy
Date of Defense	1990-12-05
Availability	restricted
Abstract Microwave spectroscopy was used to determine whether sulphonyl chloride isocyanate (SO2CINCO) exists as a mixture of 71° and 110° isomers or as a single 94° isomer where the angle is the dihedral angle between the S-Cl bond and N = C bond, and whether the NCO group is linear or not. The microwave spectrum of SO2CINCO was assigned for two isotopic species, SO235CINCO and SO237CINCO, by considering the Stark effect and the nuclear quadrupole splittings due to chlorine and nitrogen. Rotational constants and nuclear quadrupole coupling constants were determined from the assigned peaks. The bond angles and dihedral angles were derived from the six rotational constants of the two isotopes by imposing some constraints based on the electron diffraction study. The dihedral angle C = N-S-CI obtained in this study was 93.86 ± 0.04 ° and LNCO was 175.68 ± 0.02° . The results indicate that SO2CINCO exists as the 94° form at the temperature (4° K) where the microwave spectrum was recorded and that the NCO group is not linear.
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