GROWTH, CHARACTERIZATION AND DFT CALCULATIONS ON 2-AMINO-6-METHYLPYRIDINIUM HYDROGEN GLUTARATE | Zendy

S. Nithya | Zendy; B. Chandar Shekar | Zendy; K. R. Aranganayagam | Zendy; K. Boopathi | Zendy

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GROWTH, CHARACTERIZATION AND DFT CALCULATIONS ON 2-AMINO-6-METHYLPYRIDINIUM HYDROGEN GLUTARATE

Author(s) -

S. Nithya,

B. Chandar Shekar,

K. R. Aranganayagam,

K. Boopathi

Publication year - 2019

Publication title -

rasayan journal of chemistry

Language(s) - English

Resource type - Journals

SCImago Journal Rank - 0.281

H-Index - 22

eISSN - 0976-0083

pISSN - 0974-1496

DOI - 10.31788/rjc.2019.1235307

Subject(s) - characterization (materials science) , chemistry , hydrogen , density functional theory , computational chemistry , materials science , nanotechnology , organic chemistry

Single crystals of 2-amino-6-methyl pyridinium hydrogen glutarate (2A6MPHG) are grown using the slow evaporation technique. The structural determination was carried out by single crystal X-ray diffraction studies (SXRD) and it is found that 2A6MPHG belongs to the noncentrosymmetric space group P212121. The functional groups were analyzed by the Fourier transform infrared analysis. The absorption spectrum of the 2A6MPHG crystal was studied by UV-VIS studies. The quantum chemical calculations were carried out for the title compound using density functional theory (DFT) analysis.

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