✦ LIBER ✦

Vibrational circular dichroism theory: formulation defining magnetic dipole atomic polar tensors and vibrational nuclear magnetic shielding tensors

✍ Scribed by Laurence A Nafie; Teresa B Freedman

Publisher: Elsevier Science
Year: 1987
Tongue: English
Weight: 740 KB
Volume: 134
Category: Article
ISSN: 0009-2614
DOI: 10.1016/0009-2614(87)87126-9

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✦ Synopsis

The theory of vibrational circular dichroism is formulated in terms of magnetic dipole atomic pofar tensors, an extension of infrared atomic polar tensors to magnetic dipole tmnsitions. Relations are provided to define a ~bmtion~ nuclear m~eti~ shielding tensor that describes electronic shiei~n# of an external magnetic field for a nucleus.

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✍ P.J. Stephens 📂 Article 📅 1991 🏛 Elsevier Science 🌐 English ⚖ 489 KB

Vibrational magnetic dipole transition moments, and hence rotational strengths and vibrational circular dichroism intensities, are determined by the atomic axial tensors. The electronic contributions to the latter, I&, are related via a sum rule to the paramagnetic susceptibility tensor, ,&. Their a