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.
Magnetic vibrational circular dichroism of C60
β Scribed by Cheok N. Tam; Baoliang Wang; Timothy A. Keiderling; William G. Golden
- Publisher
- Elsevier Science
- Year
- 1992
- Tongue
- English
- Weight
- 368 KB
- Volume
- 198
- Category
- Article
- ISSN
- 0009-2614
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β¦ Synopsis
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 Γ 10-4, respectively) which are similar in magnitude to that of benzene. Using the MCD spectra for the two lowest-energy ~T~u electronic excitations of C6o, the single excited-state vibronic coupling model correctly predicts the sign of one of the MVCD bands but underestimates both magnitudes.
π SIMILAR VOLUMES
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
The absorption and magnetic circular dichroism (MCD) spectra of CGO isolated in Ar matrices have been measured in the visible and near-ultraviolet. The first two allowed bands (at 2326 and z 253 nm) show substantial negative .d terms. Sharp, weak vibronic structure showing clear evidence.of Jahn-Tel