Microwave Spectroscopy: Five Molecular Studies

MacKay, S. A (1971) Microwave Spectroscopy: Five Molecular Studies. PhD thesis, University of Glasgow.

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The first chapter of this thesis briefly describes the Stark modulation spectrometer which was used in the studies of microwave spectra described in the following chapters. The second chapter continues the study of the molecular geometries of the 4-pyrone series of compounds by investigating that of pyran-4-thione. It is shown that pyran-4-thione, like pyran-4-one, is planar in the ground-state. From a comparison of the structures of these two compounds it is believed that the resonance benzoid forms have a greater contribution to the overall structure in the case of pyran-4-thione. The third chapter is concerned with the spectra of cyclohex-2-en-1-one, for which two of the principal components of the dipole moment have been obtained and the fundamental frequency of the lowest ring bending deformation has been determined as 95+/-6 cm-1. The observed moments of inertia are in fair agreement with the calculated moments for a structural model for cyclohexenone in which five of the six carbon atoms are coplanar. The following two chapters deal with two compounds of the cyanamide series, difluorocyanamide and dimethylcyanamide. Although the structure is not accurately determined, limits are placed on the structure of NF2CN and a study has been made of the 14N-quadrupole coupling in the spectra of the molecule. An account is given of the interesting spectra of dimethylcyanamide and the satellite spectrum of each transition is discussed in terms of skeletal deformation and torsional vibrations of this two methyl-top molecule. Because of near-degeneracy of the energy levels of dimethylcyanamide, second-order perturbation theory was found insufficient for the calculation of the dipole moment. In the next section halogen substituent effects on the geometry of the NH2-group in aniline were viewed by means of the structural determination of the NH2-group of p-chloroaniline. The final chapter is devoted to a brief account of chemical syntheses undertaken in the course of this work.

Item Type: Thesis (PhD)
Qualification Level: Doctoral
Keywords: Analytical chemistry
Date of Award: 1971
Depositing User: Enlighten Team
Unique ID: glathesis:1971-78577
Copyright: Copyright of this thesis is held by the author.
Date Deposited: 28 Feb 2020 12:09
Last Modified: 28 Feb 2020 12:09
URI: https://theses.gla.ac.uk/id/eprint/78577

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