Title page for ETD etd-09202005-090953
|Type of Document
||Determination of the molecular structure of Sulphonyl Chloride Isocyanate using microwave spectroscopy
|Graybeal, Jack D.
|Merola, Joseph S.
|Schug, John C.
|Viers, Jimmy W.
|Wightman, James P.
|Date of Defense
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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