Fourier transform IR and Raman spectra, Normal modes, vibrational energy level of 1H- and 3H-4,6-dimethyl-1,2,3-triazolo[4,5-c]pyridine
Article Sidebar
-
IR and Raman, DFT, 4,6-dimethyl-1,2,3-triazolo[4,5-c]pyridine tautomerization
Abstract
Fourier transform IR and Raman spectra, Normal modes, vibrational energy level and potential energy distribution (PED) of 1H- and 3H-4,6-dimethyl-1,2,3-triazolo[4,5-c]pyridine tautomers, have been determined using density function theory (DFT) at the B3LYP/6-31G(d,p) level. The results of experimental values obtained agreement with the theoretical model of geometry and vibration levels with the scaling factor ?1-?8= 0.96, ?9-?25= 0.98 and ?26-?52 = 1, respectively, the Optimised bond lengths and bond angles are good agreement with X-ray data of other triazolo-pyridine compounds.
Full text article
Authors
This work is licensed under a Creative Commons Attribution 4.0 International License.
In a brief statement, the rights relate to the publication and distribution of research published in the journal of the University of Sebha where authors who have published their articles in the journal of the university of Sebha should how they can use or distribute their articles. They reserve all their rights to the published works, such as (but not limited to) the following rights:
- Copyright and other property rights related to the article, such as patent rights.
- Research published in the journal of the University of Sebha and used in its future works, including lectures and books, the right to reproduce articles for their own purposes, and the right to self-archive their articles.
- The right to enter a separate article, or for a non-exclusive distribution of their article with an acknowledgment of its initial publication in the journal of Sebha University.
Privacy Statement The names and e-mail addresses entered on the Sabha University Journal site will be used for the aforementioned purposes only and for which they were used.
