Browsing Physics by Author "Chopra, D."

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Insights from electron density analysis into the charge transfer mechanism in a photoluminescent cocrystal of phenanthrene and tetrafluoro-1,4-benzoquinone

Hathwar, V.R.; Bhowal, R.; Chopra, D. (Journal of Molecular Structure. 1208; 2020; ArticleID_127864.)

Theoretical charge density studies are performed on the photoluminescent co-crystal of phenanthrene (PHNT) and tetrafluoro-1,4-benzoquinone (TFBQ) using the multipole modelling of theoretical structure factors. The topological ...
Quantitative evaluation of the electronic features involving "nucleophilic-electrophilic" character in the chalcogen sulfur

Mandal, K.; Hasija, A.; Shukla, R.; Hathwar, V.R.; Chopra, D. (Physical Chemistry Chemical Physics. 25(29); 2023; 19427-19434.)

This study investigates the crystal structures of substituted thiophenes and isothiocyanates by utilizing the method of in situ cryocrystallization to gain quantitative insights into the electronic features of sulfur-centered ...
Quantitative insights into noncovalent interactions involving halogen and tetrel bonds in 2,4,6-trimethylpyrylium tetrafluoroborate

Mandal, K.; Sarkar, S.; Ghosh, P.; Hathwar, V.R.; Chopra, D. (Acta Crystallographica Section C: Structural Chemistry. 78(11); 2023; 597-605.)

The crystal and molecular structure of an organic salt, in which a 2,4,6-trimethylpyrylium cation forms a salt with a tetrafluoroborate anion, namely, 2,4,6-trimethylpyrylium tetrafluoroborate, C sub(8)H sub(11)O sup(+).BF ...

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