Theoretical modeling of two-photon absorption of benzoxazoles exhibiting excited state proton transfer
Journal Title: Journal of Physics and Electronics - Year 2018, Vol 26, Issue 2
Abstract
Two-photon absorption spectra of 2-(2'-hydroxyphenyl)benzoxazole, 2,5-bis(2-benzoxazolyl)phenol and 2,5-bis(2-benzoxazolyl)hydroquinone are modeled by time-dependent density functional theory calculations. In contrast to the linear absorption, where the transitions to the two lowest excited states are leading, the two-photon absorption cross sections are significant for the transitions to higher states which are weak in one-photon absorption spectra. The 2,5-bis(2-benzoxazolyl)phenol and 2,5-bis(2-benzoxazolyl)hydroquinone demonstrate the maximum cross section of about ten times larger than that of 2-(2'-hydroxyphenyl)benzoxazole. The largest value of the cross section is calculated for 2,5-bis(2- benzoxazolyl)hydroquinone to be about 1500 units of Goeppert-Mayer for excitation at 600 nm.
Authors and Affiliations
Y. Syetov
Phase and structural transformations in copper and its alloys under the electrolytic discharge
Copper and its alloy were treated in an electrolytic plasma formed in the boron-containing electrolyte under the action of discharge in order to obtain a diffusion coating with enhanced hardening characteristics and the...
Influence of heat treatment on photoluminescence spectra in ZnS:Mn crystals with hexagonal structure
It has been investigated the influence of heat treatment with the following temperins on the integral photoluminescence spectra and on the individual bands of this spectra. It has been showed the correlation between the...
Theoretical modeling of two-photon absorption of benzoxazoles exhibiting excited state proton transfer
Two-photon absorption spectra of 2-(2'-hydroxyphenyl)benzoxazole, 2,5-bis(2-benzoxazolyl)phenol and 2,5-bis(2-benzoxazolyl)hydroquinone are modeled by time-dependent density functional theory calculations. In contrast to...
Conductivity of lithium heptagermanate glasses and single crystals doped with 3d- ions
Lithium heptagermanate Li2Ge7O15 glasses doped with Cr and Mn were prepared by the melt quenching. Electrical conductivity σ of pure and doped glasses was measured in AC field (f=1 kHz) within the temperature range 300-7...
Calculation of nonequilibrium thermodynamic potential of Bose system near the condensation point
Bose system of zero spin particles is considered in the presence of the Bose–Einstein condensate in the vicinity of the phase transition point. The system is investigated in the framework of the Bogolyubov model with the...