Calculations of the vibrational circular dichroism (VCD) and absorption spectra of propylene oxide over the range 700-1600 cm-' are compared with experimental spectra. VCD spectra are calculated using Stephens' equation for vibrational rotational strengths in the distributed origin gauge. Atomic pol
Vibrational circular dichroism of methyl deformation modes
โ Scribed by C.N. Su; T.A. Keiderling
- Publisher
- Elsevier Science
- Year
- 1981
- Tongue
- English
- Weight
- 386 KB
- Volume
- 77
- Category
- Article
- ISSN
- 0009-2614
No coin nor oath required. For personal study only.
โฆ Synopsis
Rcce~rcd 17 Srpwmbcr 1950 In final lorm 3 'Vorcmbcr 19SO
TIw ~br.~t~on~I ClrCUlJr dlchrown ot sckrral wbstlrutcd phen) Ierhanes arc reported III the 1450 cm-' reyon and mtcrprctcd 3s being due to mtcmctlon of ;hc CH3 dctormation UI~~I a near degenerate phem I mode ImpliccltIons for previously rcporrcd Raman CID spr'ctra of these molrculcs are dlscusscd
๐ SIMILAR VOLUMES
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 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.
Vibrational circular dichroism (VCD) spectra are reported for (+), (-) and (-+) a-pinene, and (-) /3-pinene, isolated in argon matrices at ~18 K. These are the first observations of VCD of matrix-isolated molecules. Spectra are limited to the C-H stretching region (2800-3100 cm -1 ). In all cases, t
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.