Intermolecular contributions to the chemical shielding anisotropy in crystalline benzene

Thomas Barbara, C. F. Wood, B. P. Dailey

Research output: Contribution to journalArticle

5 Citations (Scopus)

Abstract

Intermolecular contributions to the chemical shielding in crystalline benzene are investigated through a comparison of solid-state and liquid-crystal measurements of the shielding anisotropy of benzene. A semiclassical ring current calculation applied to the benzene crystal lattice predicts a neighbor contribution to the anisotropy that brings the solid-state and liquid-crystal measurements into accord. Possible intermolecular effects in liquid-crystal methods are also experimentally tested.

Original languageEnglish (US)
Pages (from-to)225-233
Number of pages9
JournalJournal of Magnetic Resonance (1969)
Volume48
Issue number2
DOIs
StatePublished - Jun 15 1982
Externally publishedYes

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shielding
liquid crystals
benzene
anisotropy
solid state
ring currents
crystal lattices

Cite this

Intermolecular contributions to the chemical shielding anisotropy in crystalline benzene. / Barbara, Thomas; Wood, C. F.; Dailey, B. P.

In: Journal of Magnetic Resonance (1969), Vol. 48, No. 2, 15.06.1982, p. 225-233.

Research output: Contribution to journalArticle

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