N-methylmethyleneimine and ethylideneimine: Gas- and matrix-infrared spectra, AB initio calculations and thermodynamic properties
Abstract
Gas- and matrix spectra of CH 3N:CH 2 (I) produced by controlled pyrolysis of N-trimethyl hexahydro-s-triazine and matrix spectra of CH 3CH:NH (II) and its d s modification produced by photolysis in Ar matrices have been measured. A set of ab initio SCF LCAO calculations for both the cis and trans isomer of II, of I and of the isomers CH 2:CHNH 2 and overlineCH 2NHC H 2 is given. For I and II assignments of the vibrational spectra, sets of harmonic force constants as well as statistical thermodynamic functions and thermodynamic data of their interconversion are presented.
- Publication:
-
Chemical Physics
- Pub Date:
- May 1977
- DOI:
- 10.1016/0301-0104(77)85189-6
- Bibcode:
- 1977CP.....21..327S