Vibrational spectral assignment and enhanced resolution using magnetic vibrational circular dichroism
β Scribed by T.R. Devine; T.A. Keiderling
- Book ID
- 108007385
- Publisher
- Elsevier Science
- Year
- 1987
- Tongue
- English
- Weight
- 291 KB
- Volume
- 43
- Category
- Article
- ISSN
- 1386-1425
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π SIMILAR VOLUMES
Magnetic vibrational circular dichroism spectra of the title compounds are presented for the mid-IR region. The metalloporphytin E. modes have larger A terms than seen previously by an order of magnitude and are 2-3 times larger than in tetraphenylporphine. Comparison to the vibronic model is made.
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
The magnetic vibrational circular dichroism (MVCD) spectra of \(\mathrm{HCl}\) and \(\mathrm{DCl}\) are presented. The average rotational \(g\)-value of \(\mathrm{H}^{35} \mathrm{Cl}\) in the first excited vibrational states was determined to be 0.451 and 0.449 for the \(P\) and \(R\) branches, resp