Title page for ETD etd-09202005-090953

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
  • Microwave spectroscopy
Date of Defense 1990-12-05
Availability restricted

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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