Dr Peter Cox's Research Interests

MICROWAVE SPECTROSCOPY OF GASES AND MOLECULAR STRUCTURE

[Dr Cox has now retired, and so this web page is no longer active. It is kept online for historical reasons only].

The highly resolved nature of microwave spectra enable structural parameters, quadrupole coupling constants, dipole moments, barriers to hindered rotation, conformational energies etc. to be determined with unrivalled accuracy for a range of chemically interesting species in the gaseous phase. The microwave method provides fundamental data for the 'free' molecule which tests and stimulates new theoretical approaches to chemical bonding and molecular behaviour. Three research areas are currently being investigated:

  1. Internal Rotation
    Many molecules involve large amplitude internal motions which have to be taken into account before structural properties can be interpreted. Molecules in this category CF3CF=CH2, CCl2FNO, CH3B(OH)2, 3,3,4,4 tetrafluorotetrahydro-furan and difluoromaleic anhydride are currently being studied.
  2. Mechanistic Studies of Fluorocarbon Decomposition
    Studies are in progress to detect and characterise the thermal and electrical breakdown products of industrially important fluorocarbons. FTIR and microwave spectroscopy are being used in the chemical analysis. Detailed structural studies are being made of some of the more interesting fragment molecules.
  3. Inorganic Systems
    Apart from those referred to above, microwave and vibrational studies are being made on NC/CN isomerisation in silicon chemistry; cyclopentadienyl indium, lithium and thallium. Detailed structures and molecular force fields are the aim for smaller species under study.

Recent references:

  1. Nitrogen Quadrupole Coupling in the Microwave Spectrum of Trifluoronitromethane CF3NO2. J.Mol.Structure (1996).
  2. Perfluorocyclopropene: Experimental and Theoretical Studies of its Structure in Gaseous, Solution and Crystalline Phases. J.Am.Chem.Soc., (1996) 118, 209-216.
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