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.
The vibronic theory of magnetic vibrational circular dichroism spectra of metalloporphyrins
β Scribed by Marek Pawlikowski; O.Sonnich Mortensen
- Publisher
- Elsevier Science
- Year
- 1990
- Tongue
- English
- Weight
- 421 KB
- Volume
- 168
- Category
- Article
- ISSN
- 0009-2614
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β¦ Synopsis
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 theory are discussed in some detail.
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.
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 ma
It x% iii be shown thar Factors of virtually no influence on the vibronic structure of the absorption spectra in biaryls may profoundly change the corresponding vibronic structure in the CD spectra. This is illustrated by the theoretica analysis of the experimental vibronic absorption and CD spectra
T h c magnetic circular dichroism spectra of a numbcr of indolc alkaloids show two B-tcrms of opposite sign in thc 250-330 nni wavelength region associated with the l L b and lL, clectronic transitions, thc long ivavelength, lLt,, band being of positive sign, whereas both bands strongly ovcrlap in a
The magnetic circular dichroism (MCD), induced circular dichroism (ICD) spectra, and the absorption spectra of N-bromophthalimide have been measured. The ICD spectrum of the b-cyclodextrin complex with Nbromophthalimide is also reported. The absorption bands of N-bromophthalimide are assigned. Intr