Proton magnetic shielding tensors in benzene - From the individual molecule to the crystal

Thomas Heine, Clémence Corminboeuf, Gisbert Grossmann, Ulrich Haeberlen

Research output: Contribution to journalArticle

28 Citations (Scopus)

Abstract

Inequivalent in the crystal: The three chemically distinct calculated proton shielding tensors of solid benzene - a consequence of interactions in the crystal - can be described as the superposition of the isolated molecule and the intermolecular shielding contributions. In the ovaloid representations of the shielding tensors 1, 2, and 3 indicate the least, intermediate, and most shielded principal axes, respectively. (Figure Presented).

Original languageEnglish
Pages (from-to)7292-7295
Number of pages4
JournalAngewandte Chemie - International Edition
Volume45
Issue number43
DOIs
Publication statusPublished - 2006 Nov 3

All Science Journal Classification (ASJC) codes

  • Catalysis
  • Chemistry(all)

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