| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 10558217 | Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy | 2005 | 6 Pages |
Abstract
Ab initio and vibrational self-consistent field (VSCF) computations are used to investigate the vibrational normal coordinates of the protonated Schiff base (PSB) 4-cis-γ,η-dimethyl-C9H9 NH2+. The ground and the first excited states are investigated. Both harmonic and anharmonic frequencies for the first three overtones of the ground and first excited states are reported. Special attention is payed to the discussion of the normal coordinates modes that involve the central C= C bond which plays a significant role in the isomerization process.
Related Topics
Physical Sciences and Engineering
Chemistry
Analytical Chemistry
Authors
C. Morari, Diana Bogdan,