Anisotropy of the diamagnetic susceptibility of benzene. Determination by high-field deuterium NMR

A. A. Bothner-By, C. Gayathri, P. C.M. Van Zijl, C. MaClean

Research output: Contribution to journalArticle

Abstract

A doublet due to quadrupole splitting cannot be detected in the deuterium NMR spectrum of perdeuterobenzene at 141 kG, whether neat, in dilute solution, or in the gas phase. However, the proton-decoupled spectrum of monodeuterobenzene at 296 K consists of a doublet with spacing of 0.50 Hz at 1 mol% concentration in acetone-d6, decreasing to 0.42 Hz at 80 mol% concentration. The observed splitting provides a value for the anisotropy of the diamagnetic susceptibility of -1.11 :K 10-28 emu/molecule at I% concentration and -0.93 × 10-28 emu/molecule at 80% concentration, where transient dimers may be formed. The difficulty with perdeuterobenzene is traced to the effect of the scalar spin-spin coupling between deuterons.

Original languageEnglish (US)
Pages (from-to)456-462
Number of pages7
JournalJournal of Magnetic Resonance (1969)
Volume56
Issue number3
DOIs
StatePublished - Feb 15 1984
Externally publishedYes

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