scholarly journals 4-(4,5-Diphenyl-1H-imidazole-2-yl)phenol: Synthesis and Estimation of Nonlinear Optical Properties using Z-Scan Technique and Quantum Mechanical Calculations

2021 ◽  
Vol 68 (1) ◽  
pp. 170-177
Author(s):  
Fatemeh Mostaghni
Keyword(s):  
Optical Properties ◽  
Dipole Moment ◽  
Title Compound ◽  
Nonlinear Optical ◽  
Energy Gap ◽  
Nbo Analysis ◽  
Nonlinear Optical Properties ◽  
Basis Set ◽  
Third Order ◽  
Theoretical Investigations

In this study, 4-(4,5-Diphenyl-1H-imidazole-2-yl) phenol is successfully synthesized, and its nonlinear optical properties (NLO) are investigated both experimentally and theoretically. Theoretical investigations have been done by using TDDFT and B3LYP functional with usual 6-31+G(d,p) basis set. The results of HOMO-LUMO and NBO analysis show the low energy gap, high total dipole moment, and hyperpolarizabilities (β, γ) as well as the presence of dipolar excited states with relatively significant dipole-moment changes which are linked to the nonlinearity. The z-scan technique confirmed the NLO properties of title compound. The nonlinear absorption coefficient, refractive index, and third-order susceptibility were found to be 4.044 × 10−1 cmW−1, 2.89 × 10−6 cm2W−1 and 2.2627 × 10−6 esu, respectively. The negative sign of n2 indicated the occurrence of self-defocusing nonlinearity. The results show that the title compound can been used as potential NLO material.

Study of the third order nonlinear optical properties of Zn1−xMgxSe and Cd1−xMgxSe crystals

2008 ◽  
Vol 16 (1) ◽  
Author(s):  
B. Derkowska ◽  
F. Firszt ◽  
B. Sahraoui ◽  
A. Marasek ◽  
M. Kujawa
Keyword(s):  
Optical Properties ◽  
Nonlinear Optical ◽  
Energy Gap ◽  
Nonlinear Optical Properties ◽  
Photon Absorption ◽  
Third Order ◽  
Nonlinear Optical Susceptibility ◽  
The Third ◽  
Optical Susceptibility ◽  
Mg Content

AbstractThird order nonlinear optical susceptibilities χ<3> of ternary Zn1−xMgxSe and Cd1−xMgxSe crystals have been measured using standard degenerate four-wave mixing (DFWM) method at 532 nm. The nonlinear transmission technique has been applied to check if our crystals exhibit two-photon absorption. The studied Zn1−xMgxSe and Cd1−xMgxSe solid solutions were grown from the melt by the modified high-pressure Bridgman method. For both crystals the energy gap increases with increasing Mg content.In the case of Zn1−xMgxSe, it was found that the value of third order nonlinear optical susceptibility χ<3> decreases with increasing Mg content. An explanation of this behaviour results from the dependence of optical nonlinearities on the energy band gap Eg of the studied crystals. In the case of Cd1txMgxSe with low content of Mg, no response was observed for the studied wavelength since the energy gap in such crystals is smaller than the photon energy of the used laser radiation.It was also found that the value of third order nonlinear optical susceptibility χ<3> for Cd0.70Mg0.30Se is higher than for Zn0.67Mg0.33Se. This behaviour can be understood if one take into consideration that the free carrier concentration in Cd1−xMgxSe samples is about four orders of magnitude higher than that in Zn1txMgxSe ones with comparable Mg content respectively. It is commonly known that when the electric conductivity increases, the values of nonlinear optical properties increase.From the performed measurements one can conclude that the incorporation of Mg as constituent into ZnSe and CdSe crystals leads to a change of the third order nonlinear optical susceptibilities.

scholarly journals Synthesis, Spectroscopic, Intramolecular Energy Transfer and Electronic Structure Nonlinear Optical Properties of Novel Tetrahydropyrimidinone

2018 ◽  
Vol 34 (3) ◽  
pp. 1222-1232
Author(s):  
Ukkaramoorthy Umadevi ◽  
Arumugam Dhandapani ◽  
Subramaniyan Manivarman ◽  
Subramaniyan Subashchandrabose
Keyword(s):  
Optical Properties ◽  
Nonlinear Optical ◽  
Energy Gap ◽  
Condensation Reaction ◽  
Biginelli Reaction ◽  
Intramolecular Hydrogen Bonding ◽  
Nbo Analysis ◽  
Nonlinear Optical Properties ◽  
Efficient Catalyst ◽  
Title Molecule

New oxygen bridged tricyclic pyrimidinone molecule is synthesized by Biginelli condensation reaction using CeCl3.7H2O as an efficient catalyst. The new molecular structural arrangement of unusual product of Biginelli reaction is analysed using experimental and theoretical techniques. The extent of intermolecular charge transfer and delocalization are estimated and discussed in terms of natural bond orbitals. The optimized geometry reveals the intramolecular hydrogen bonding exists in the studied compound and it is confirmed using NBO analysis. The shifts in vibrational wavenumber due to the hydrogen bondings are curiously analysed with potential energy distributions of vibrations. To scrutinize the nonlinear optical properties of the title molecule first order hyperpolarizability components are calculated and its shows the title molecule is promising candidate for NLO studies. In addition, the active charge sites and energy gap are also identified and discussed.

Synthesis, characterization and third order nonlinear optical properties of trans-A2B-tpye cobalt corroles

2021 ◽  
Author(s):  
Guifen Lu ◽  
Peng Zhang ◽  
Yuanyuan Fang ◽  
Yongjie Gao ◽  
Qikang Hu
Keyword(s):  
Optical Properties ◽  
Nonlinear Optical ◽  
Nonlinear Optical Properties ◽  
Para Position ◽  
Third Order

A series of trans-A2B cobalt corroles, represented as [Cor(p-RPh)2(p-NO2Ph)]Co(PPh3) (1-5), where Cor is trianion of corrole, R is a CN, F, CH3, C(CH3)3 or PhCH2O on the para-position of the...

Physical origin of the third-order nonlinear optical properties of polyenes

2005 ◽  
Vol 52 (14) ◽  
pp. 1933-1945 ◽  
Author(s):  
I. Fuks-Janczarek ◽  
I. V. Kityk * ◽  
J. Berdowski ◽  
B. Sahraoui ◽  
C. Andraud
Keyword(s):  
Optical Properties ◽  
Nonlinear Optical ◽  
Nonlinear Optical Properties ◽  
Physical Origin ◽  
Third Order ◽  
The Third
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