Journal
JOURNAL OF PHOTOCHEMISTRY AND PHOTOBIOLOGY A-CHEMISTRY
Volume 407, Issue -, Pages -Publisher
ELSEVIER SCIENCE SA
DOI: 10.1016/j.jphotochem.2020.113042
Keywords
Charged chromophores; Divinylquinoxalines; Solvatochromic behavior; First hyperpolarizability; Voltammetry; Energy gap
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Funding
- Russian Science Foundation [16-13-10215]
- Russian Foundation for Basic Research [19-29-08001]
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Chromophores with charged heterocyclic acceptor moiety in combination with divinylquinoxaline conjugated pi-bridge exhibit a significant solvatochromic shift, small energy gap value, and large first hyperpolarizability. A change in trend by opposite one in the characteristics in the series of chromophores is exhibited when passing from gas to solvent.
Chmmophores with charged heterocyclic acceptor moiety in combination with divinylquinoxaline conjugated pi-bridge show a significant solvatochromic shift, small energy gap value (determined by various methods), and large values of the first hyperpolarizability estimated by DFT. A quinoxaline-based chromophore with an indolium acceptor exhibits an outstanding solvatochmmic shift (0.38 eV), probably a record one for D-pi-A chromophores with a dialkyl aniline donor moiety. A good correlation between the above characteristics and the calculated NBO pi-charge on the aniline nitrogen atom has been found. A change in the trend by opposite one in the characteristics in the series of quinolinium/benzothiazolium/indolium chromophores is exhibited when passing from gas to solvent.
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