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Title: High resolution nuclear magnetic resonance spectroscopy.
Author: Carey, Paul R
ISNI:       0000 0001 3519 9994
Awarding Body: University of Sussex
Current Institution: University of Sussex
Date of Award: 1969
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The three main areas of current research in NMR are dealt with in this thesis. The field is far tuo extensive to allow a comprehensive treatment of each topic but at least one chapt,er is devoted to each of: A. The analysis of high resolution N1ffi spectra. B. The calculation of spectral parameters using wavefunctions. c. Line-shape studies. Under A Chapter 2 gives a comprehensive survey of the theory used in the analysis of NMR spectra and uses the A6B,X spectrum of the anion trans-bis(trifluoromethyl)tetrafluorophosphate a~ an original example. Chapters 3 and 4 consider the analysis of three spin spectra in the case when two nuclei have identical chemical shifts, and the analysis of the spectra of dimethylaniline and nine sugar compounds .This is the first time sugar spectra have been fully analysed using a computer program and the results obtained for the coupling constants in these compounds are important to the understanding of long range coupling over,four bonds viz 4JHH• Under B Chapter 5 treats long range coupling from a theoretical standpoint. The theory of coupling constants is expounded and then used with a simple molcular orb1 tal theory to calculate 'JHH in cyclohexane fragments. These results are in excellent agreement with the experimental values derived in Chapter 4, and .' " ' the method has been extended : to include distorted conformations • The curves thus obtained should :prove to be valuable .in confor~ mational studies. ·The mechanism of long range coupling has also been investigated.Chapter 6 comes under category C. Firstly a method is proposed to facilitate the calculation ot NMR spectra ot exchanging ligands. A kinetic study of the exchange reactions can then be made trom the parameters derived in the spectral analysis. The spectra, in certain cases, are made up of independent partial spectra and a fUll discussion of tho simplifications achieved is given. The donor-acceptor exchange reactions MeJB + PMe3 ~ Me3B - PMe3 is studied in detail and the kinetics tor this reaction are proposed. Several experimental tactors, includ- . the quadrupolar relaxation of the boron nucleus, have to be taken into account. An outline of the computer program written to solve this problem is included in Chapter 6.
Supervisor: Not available Sponsor: Not available
Qualification Name: Thesis (Ph.D.) Qualification Level: Doctoral
EThOS ID:  DOI: Not available