| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 1232299 | Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy | 2012 | 13 Pages |
Abstract
⺠Vibrational investigations of 1,2-dimethyl-5-nitroimidazole and 2-methyl-5-nitroimidazole were carried out. ⺠The stable geometry of the compounds was identified by conformational analysis. ⺠Energy, structure and thermodynamic properties were determined. ⺠The electrostatic potential, HOMO and LUMO energies were calculated. ⺠Effect of substituents on the skeletal frequencies has been analysed.
Related Topics
Physical Sciences and Engineering
Chemistry
Analytical Chemistry
Authors
V. Arjunan, P. Ravindran, R. Santhanam, Arushma Raj, S. Mohan,