Vibrational spectra and structural dynamic models of halosubstituted formaldehyde.
- Resource Type
- Article
- Authors
- Él’kin, M. D.; Osin, A. B.
- Source
- Journal of Applied Spectroscopy. Sep2006, Vol. 73 Issue 5, p768-771. 4p. 3 Charts.
- Subject
- *VIBRATIONAL spectra
*PHOSGENE
*STRUCTURAL dynamics
*FORMALDEHYDE
*MOLECULAR spectra
*SPECTRUM analysis
- Language
- ISSN
- 0021-9037
The DFT/B3LYP method with 6-31G*(**) basis sets has been used to analyze the vibrational spectra of halo-substituted formaldehyde in the anharmonic approximation. [ABSTRACT FROM AUTHOR]