Theoretical explorations about the excited state behaviors for two novel high efficient ESIPT compounds
Sign Up to like & getrecommendations! Published in 2018 at "Structural Chemistry"
DOI: 10.1007/s11224-018-1165-6
Abstract: Two high efficient excited state intramolecular proton transfer (ESIPT) compounds (i.e., 3-(5-([1,1′-biphenyl]-4-yl)oxazol-2-yl)-4′-(N,N-diphenylamino)-[1,1′-biphenyl]-4-ol (1) and 4′-(N,N-diphenylamino)-3-(5-(4′-(diphenylamino)-[1,1′-biphenyl]-4-yl)oxazol-2-yl)-5-methyl-[1,1′-biphenyl]-4-ol (2)) are explored theoretically. Based on DFT and time-dependent DFT (TDDFT) methods, we investigate the hydrogen bonding interactions and ESIPT… read more here.
Keywords: state; esipt; excited state; high efficient ... See more keywords