Ali, J. (2010). Geometries , Vibration Frequencies , Normal Coordinates and IR Absorption Intensities of Newly Azo Imidazoles : 3,5-DMPID and 2,4-DMPID Molecules. , 0(39), 469-480.
J.H. Ali. "Geometries , Vibration Frequencies , Normal Coordinates and IR Absorption Intensities of Newly Azo Imidazoles : 3,5-DMPID and 2,4-DMPID Molecules". , 0, 39, 2010, 469-480.
Ali, J. (2010). 'Geometries , Vibration Frequencies , Normal Coordinates and IR Absorption Intensities of Newly Azo Imidazoles : 3,5-DMPID and 2,4-DMPID Molecules', , 0(39), pp. 469-480.
Ali, J. Geometries , Vibration Frequencies , Normal Coordinates and IR Absorption Intensities of Newly Azo Imidazoles : 3,5-DMPID and 2,4-DMPID Molecules. , 2010; 0(39): 469-480.

Geometries , Vibration Frequencies , Normal Coordinates and IR Absorption Intensities of Newly Azo Imidazoles : 3,5-DMPID and 2,4-DMPID Molecules

Iraqi National Journal Of Chemistry
Article 1, Volume 0, Issue 39, 2014, Pages 469-480
Author
J.H. Ali
Abstract
Abstract
MINDO/3-FORCES calculations had been done after complete optimization of geometry on two newly azo imidazoles: 3,5-DMPID and 2,4-DMPID molecules. The dipole moments , geometric parameters, heats of formation, orbital energies, ionization energies and the electron densities were reported. The (3N-6) fundamental vibration frequencies along with their assignments and the corresponding IR absorption intensities for each one of the two molecules were , also, listed. It was shown that the 2,4-DMPID molecule is the more stable one and it has the lower dipole moment and the higher frequency value for the -N=N- stretch fundamental vibration mode.
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