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Title: Some studies of molecular structure by deuterium magnetic resonance
Author: Royston, Jeremy
Awarding Body: University of Warwick
Current Institution: University of Warwick
Date of Award: 1969
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Single crystals of cupric acetate monohydrate dimer-d16 and potassium sulphamate-dz were studied by deuterium magnetic resonance. The theory of magnetic resonance in quadrupolar nuclei is briefly described. followed by a description of the apparatus used and the experimental technique. Several computer programs were written in Elliott ALGOL 60 for the calculation and interpretation of the results. The quadrupolar coupling constant and asymmetry parameter for the methyl group deuterons in cupric acetate' were found to be :- e2qO/h=55.6 =+. 4.Khz ﬨ = 13+.02 at 0ºC At 770K the results were unchanged. The departure of ﬨ from the expected value of zero was explained on the basis of the indirect electric field effect. After a critical .review of other work on coupling constants in C-D compounds, a value of 168 ±. 5 kHz was deduced for e2qQ/h in the static – CD3 group in cupric: acetate. Potassium Sulphamate –d2 was studied at -78°C. The results were :- e2qO/h=206.9+ 1.4 kHz, ﬨ=.14 +.01. A comparison with the results for urea showed that the magnitude and directions of the principal components of the efg tensor appeared to be controlled by hydrogen bonding.
Supervisor: Not available Sponsor: Science Research Council
Qualification Name: Thesis (Ph.D.) Qualification Level: Doctoral
EThOS ID:  DOI: Not available
Keywords: QD Chemistry