✦ LIBER ✦

Atomic magnetizability tensors of benzene and fluoro- and chlorobenzenes

✍ Scribed by Per-Olof Åstrand; Kurt V. Mikkelsen

Publisher: John Wiley and Sons
Year: 1998
Tongue: English
Weight: 260 KB
Volume: 36
Category: Article
ISSN: 0749-1581
DOI: 10.1002/(sici)1097-458x(199802)36:2<92::aid-omr223>3.0.co;2-m

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✦ Synopsis

Calculation of the contribution to the chemical shift of molecules in solution arising from the magnetizability anisotropy of the neighbouring molecules requires a distributed representation of the molecular magnetizability tensor. A partition scheme of the molecular magnetizability into atomic magnetizability tensors is discussed and atomic magnetizabilities of benzene and Ñuoro-and chlorobenzenes are calculated.

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