Please use this identifier to cite or link to this item: http://nopr.niscair.res.in/handle/123456789/57727
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dc.contributor.authorAfza, Nishat-
dc.contributor.authorDevi, Poornima-
dc.contributor.authorVerma, Anil Kumar-
dc.contributor.authorShukla, Shraddha-
dc.contributor.authorParveen, Huda-
dc.contributor.authorKumar, Roop-
dc.contributor.authorRai, Sonam-
dc.contributor.authorBishnoi, Abha-
dc.date.accessioned2021-07-19T06:51:41Z-
dc.date.available2021-07-19T06:51:41Z-
dc.date.issued2021-07-
dc.identifier.issn0975-0959 (Online); 0301-1208 (Print)-
dc.identifier.urihttp://nopr.niscair.res.in/handle/123456789/57727-
dc.description504-512en_US
dc.description.abstractSynthesis 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.en_US
dc.language.isoenen_US
dc.publisherNIScPR-CSIR, Indiaen_US
dc.sourceIJPAP Vol.59(07) [July 2021]en_US
dc.subjectDFTen_US
dc.subjectThermodynamicen_US
dc.subjectSpectroscopic propertiesen_US
dc.titleSynthesis, Spectroscopic & DFT studies of Novel N-((1H-benzo[d]imidazol-1-yl) methyl)-N-(2-(trifluoromethyl)phenyl)-4,5-dihydrothiazol-2-amineen_US
dc.typeArticleen_US
Appears in Collections:IJPAP Vol.59(07) [July 2021]

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