Articles with "methyl thioxo" as a keyword



Photo by julienlphoto from unsplash

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 & get
recommendations!
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