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Chiroptical properties of 2-chloropropionitrile
- Source :
- Journal of Physical Chemistry A. April 21, 2005, Vol. 109 Issue 15, 3448-3453
- Publication Year :
- 2005
-
Abstract
- (S)-(-)-2-chloropropionitrile is prepared from (S)-(+)-alanine, and the ORD curves are obtained in several solvents and in the gas phase. The specific rotations calculated at the B3LYP/aug-cc-pVDZ level including electric field dependent functions are in agreement with the measured gas phase values.
Details
- Language :
- English
- ISSN :
- 10895639
- Volume :
- 109
- Issue :
- 15
- Database :
- Gale General OneFile
- Journal :
- Journal of Physical Chemistry A
- Publication Type :
- Academic Journal
- Accession number :
- edsgcl.133208151