Structure determination from the spin–lattice relaxation behaviour of quaternary carbons. Effects of deuterium substitution

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Abstract

The use of quaternary carbon relaxation data, including the effects of deuteration thereon, to obtain information about chemical structures is considered. It is shown that a simple qualitative analysis of the effects of deuteration is subject to a number of potential errors. Structural inferences should be based only on a rigorous quantitative analysis of the data. The effects of deuterium substitution on the relaxation behaviour of benzamide in solution have been measured. The data are accounted for satisfactorily by treating the molecule as an axially symmetric ellipsoid. Furthermore, it is found that deuteration has no significant effect on the rotational diffusion of benzamide in solution.

Original languageEnglish
Pages (from-to)37-40
Number of pages4
JournalOrganic Magnetic Resonance
Volume17
Issue number1
DOIs
Publication statusPublished - 1981
Externally publishedYes

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