Spectroscopic and TD-DFT investigations of 4-{[(2-amino-6-methylchromon-3-yl) methylidene]amino}-6-methyl-3-thioxo-3,4-dihydro-1,2,4-triazin-5(2H)-one, and its application for photovoltaic devices
Sign Up to like & getrecommendations! Published in 2018 at "Materials Chemistry and Physics"
DOI: 10.1016/j.matchemphys.2018.06.067
Abstract: Abstract Chemical transformation of 6-methylchromone-3-carbonitrile (1) with 4-amino-6-methyl-3-thioxo-3,4-dihydro-1,2,4-triazin-5(2H)-one (2) produced the novel 4-{(2-amino-6-methylchromon-3-yr)methylidene]amino}-6-methyl-3-thioxo-3,4-dihydro-1,2,4-triazin-5(2H)-one (AMCMTT). Essential computations were done by the DFT-calculation at B3LYP/6-311G (d,p) geometry to extract the electrostatic potential, electron density, and other related… read more here.
Keywords: amino; thioxo dihydro; triazin one; dihydro triazin ... See more keywords
Exploration of structural insights, spectroscopic assignments of 4-amino-6-methyl-3-thioxo-3, 4-dihydro-1,2,4-triazin-5(2H) one
Sign Up to like & getrecommendations! Published in 2022 at "Journal of Molecular Structure"
DOI: 10.1016/j.molstruc.2021.131559
Abstract: Abstract The study reports the Structural insights, vibrational assignments and drug of 4-amino-6-methyl-3-thioxo-3, 4-dihydro-1,2,4-triazin-5(2H) one (AMTDT) is an antimicrobial active agent. The multi-spectroscopic techniques such as NMR, FT-IR, FT-Raman and UV-vis along with quantum chemical… read more here.
Keywords: triazin one; dihydro triazin; thioxo dihydro; structural insights ... See more keywords