The magnetic vibrational circular dichroism spectra of C6o fullerene in solution are presented for excitation of the 1430 and 1183 cm-l ttu-symmetry fundamental vibrations. These transitions give rise to A-term MVCD of opposite sign (A~/Do= -3.8 and l. 1 ร 10-4, respectively) which are similar in ma
A theory of magnetic vibrational circular dichroism
โ Scribed by Thomas H. Walnut
- Publisher
- Elsevier Science
- Year
- 1985
- Tongue
- English
- Weight
- 445 KB
- Volume
- 114
- Category
- Article
- ISSN
- 0009-2614
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โฆ Synopsis
A theory of type B magnetic vibrational circular dichroism (MVCD) is developed and applied. The motion of the nuclei is treated classically and the momentum correlation between their motion and the electronic motion is treated explicitly.
๐ SIMILAR VOLUMES
A simple multistate theory of magnetic vibrational circular dichroism (MVCD) in molecules of D, and D, symmetry is presented and used to interpret the MVCD spectrum for the 1346 cm-' fundamental in coppertetraphenylporphyrins. The perils inherent in interpreting such spectra via a single-state theor
In the a, symmetry C-H stretch B,,/D, increases from -z lo-' to = 3~ 10-5/cm-' from Cl to I. These values are correlated to AE for electromc excitation and to the methyl halide results.
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.
Magnetic-lield-induced circular dichroism of the vq mode of methane at 0.5 cm-' resolution is reported. For the first five members of the R branch, A, /DO is approximately constant, averaging -4.8 x 1 Om4, which corresponds to an average g, of + 0.44. This agrees in sign with and is z 40% higher tha