<strong>Synthesis, Spectroscopic & DFT studies of Novel N-((1H-benzo[d]imidazol-1-yl) methyl)-N-(2-(trifluoromethyl)phenyl)-4,5-dihydrothiazol-2-amine</strong>
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Title Statement |
<strong>Synthesis, Spectroscopic & DFT studies of Novel N-((1H-benzo[d]imidazol-1-yl) methyl)-N-(2-(trifluoromethyl)phenyl)-4,5-dihydrothiazol-2-amine</strong> |
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Added Entry - Uncontrolled Name |
Bishnoi, Abha ; University Of Lucknow Afza, Nishat ; University Of Lucknow Devi, Poornima ; University Of Lucknow Verma, Anil Shukla, Shraddha Parveen, Huda Kumar, Roop Rai, Sonam |
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Uncontrolled Index Term |
DFT; Thermodynamic; Spectroscopic properties |
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Summary, etc. |
<p>Synthesis of N-((1H-benzo[d]imidazol-1-yl)methyl)-N-(2-(trifluoromethyl)phenyl)-4,5-dihydrothiazol-2-amine<strong> </strong>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.</p> |
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Publication, Distribution, Etc. |
Indian Journal of Pure & Applied Physics (IJPAP) 2021-07-13 15:08:30 |
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Electronic Location and Access |
application/pdf http://op.niscair.res.in/index.php/IJPAP/article/view/32324 |
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Data Source Entry |
Indian Journal of Pure & Applied Physics (IJPAP); ##issue.vol## 59, ##issue.no## 7 (2021): Indian Journal of Pure & Applied Physics |
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Language Note |
en |
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Nonspecific Relationship Entry |
http://op.niscair.res.in/index.php/IJPAP/article/download/32324/465499874 http://op.niscair.res.in/index.php/IJPAP/article/download/32324/465499876 |
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