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<strong>Synthesis, Spectroscopic &amp; 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 &amp; DFT studies of Novel N-((1H-benzo[d]imidazol-1-yl) methyl)-N-(2-(trifluoromethyl)phenyl)-4,5-dihydrothiazol-2-amine</strong>
 
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
 
Uncontrolled Index Term DFT; Thermodynamic; Spectroscopic properties
 
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>
 
Publication, Distribution, Etc. Indian Journal of Pure & Applied Physics (IJPAP)
2021-07-13 15:08:30
 
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http://op.niscair.res.in/index.php/IJPAP/article/view/32324
 
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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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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