We found a match
Your institution may have access to this item. Find your institution then sign in to continue.
- Title
Synthesis, Spectroscopic & DFT studies of Novel N-((1H-benzo[d]imidazol-1-yl) methyl)-N-(2-(trifluoromethyl)phenyl)-4,5-dihydrothiazol-2-amine.
- Authors
Afza, Nishat; Devi, Poornima; Verma, Anil Kumar; Shukla, Shraddha; Parveen, Huda; Kumar, Roop; Rai, Sonam; Bishnoi, Abha
- Abstract
Synthesis of N-((1H-benzo[d]imidazol-1-yl)methyl)-N-(2-(trifluoromethyl)phenyl)-4,5-dihydrothiazol-2-amine was done followed by its characterization by various spectral techniques. DFT studies of the compound were performed at B3LYP level to study various structural parameters and thermodynamic variables. The correlation of observed transitions with the electronic transitions had been done via NBO analysis. In addition to it, the HOMO and LUMO energy gaps and identification of sites liable for electrophilic and nucleophilic attack were done by MESP and ESP plots.
- Subjects
SPECTROMETRY; THERMODYNAMICS; BAND gaps; DENSITY functional theory; AMINES
- Publication
Indian Journal of Pure & Applied Physics, 2021, Vol 59, Issue 7, p504
- ISSN
0019-5596
- Publication type
Article