High-Field NMR Determination of Magnetic Susceptibility Tensors and Angular Correlation Factors of Halomethanes

A. A. Bothner-by, J. Dadok, P. K. Mishra, P. C.M. Van Zijl

Research output: Contribution to journalArticle

Abstract

Quadrupolar splittings in the high-resolution deuteron spectra of deuterated haloforms (CX3 2H, X = Cl, Br, I) and methylene halides (CX2 1H2H) 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 g2factors have been determined for CHC13and CHBr3and 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
DOIs
StatePublished - Jul 1 1987
Externally publishedYes

ASJC Scopus subject areas

  • Catalysis
  • Chemistry(all)
  • Biochemistry
  • Colloid and Surface Chemistry

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