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
The features of the use of the waveguide radiators in smart antenna systems
The features of the use of finite waveguide antenna arrays in the structure of modern smart antenna systems are considered. The paper deals with the problem of diffraction of an electromagnetic wave on a finite waveguide...
Approximate and strict methods for the calculation of rode angle antennas of microwave range
Approximate and rigorous methods and results of calculations of electrical characteristics of rod arbitrarily curved antennas of the microwave range are investigated with the purpose of widening their varieties and incre...
On the quantization of charged black holes with allowance for the cosmological constant
The paper considers a spherically symmetric configuration of the gravitational and electromagnetic fields with allowance to the cosmological constant, and its quantization. After dimensional reduction, the original actio...
The peculiarities of formation and thermodynamic functions of τ-phase
It is shown that for alloys with boron content of 0.1–6.5% (wt.) and carbon content of 0.3–4.0% (wt.) without pretreatment no formation of cubic boron carbide takes place under crystallization. The cubic boron carbide ca...
Method of smoothing photoluminescence spectra
The smoothing method for experimental photoluminescence spectra, which uses Tikhonov regularization method, is proposed. Smoothing problem statement is performed as a statement of the minimization problem based on the le...