High-field NMR determination of magnetic susceptibility tensors and angular correlation factors of halomethanes

A. A. Bothner-By, J. Dadok, P. K. Mishra, Peter C Van Zijl

Research output: Contribution to journalArticle

Abstract

Quadrupolar splittings in the high-resolution deuteron spectra of deuterated haloforms (CX32H, X = Cl, Br, I) and methylene halides (CX21H2H) have been measured at 14.35 T (93.5 MHz) and used to determine the anisotropy or asymmetry of their molecular magnetic susceptibility tensors. By combination with the known isotropic susceptibilities, the principal susceptibility tensors have been deduced and decomposed into bond susceptibility tensors. Neither the average susceptibilities nor the principal susceptibility tensor elements of the complete halomethane series follow Pascal's additivity rules. The phenomenon is tentatively attributed to a variable paramagnetic contribution perpendicular to the C-X bond. Angular correlation Kirkwood g2 factors have been determined for CHCl3 and CHBr3 and are compared with available literature data.

Original languageEnglish (US)
Pages (from-to)4180-4184
Number of pages5
JournalJournal of the American Chemical Society
Volume109
Issue number14
StatePublished - 1987
Externally publishedYes

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Deuterium
Anisotropy
Magnetic susceptibility
Tensors
Nuclear magnetic resonance

ASJC Scopus subject areas

  • Chemistry(all)

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High-field NMR determination of magnetic susceptibility tensors and angular correlation factors of halomethanes. / Bothner-By, A. A.; Dadok, J.; Mishra, P. K.; Van Zijl, Peter C.

In: Journal of the American Chemical Society, Vol. 109, No. 14, 1987, p. 4180-4184.

Research output: Contribution to journalArticle

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