Intermolecular contributions to the chemical shielding anisotropy in crystalline benzene

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

Research output: Contribution to journalArticlepeer-review

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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

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