scholarly journals Nonlinear Optical Properties of Novel Mono-O-Hydroxy Bidentate Schiff Base: Quantum Chemical Calculations

2013 ◽  
Vol 2013 ◽  
pp. 1-5 ◽  
Author(s):  
N. S. Labidi
Keyword(s):  
Optical Properties ◽  
Schiff Base ◽  
Quantum Chemical Calculations ◽  
Quantum Chemical ◽  
Optical Materials ◽  
Nonlinear Optical ◽  
Ring System ◽  
Nonlinear Optical Materials ◽  
Potential Applications ◽  
Base Ring

The semiempirical AM1 SCF method is used to study the first static hyperpolarizabilities β of some novel mono-O-Hydroxy bidentate Schiff base in which electron donating (D) and electron accepting (A) groups were introduced on either side of the Schiff base ring system. Geometries of all molecules were optimized at the semiempirical AM1. The first static hyperpolarizabilities of these molecules were calculated using Hyperchem package. To understand this phenomenon in the context of molecular orbital picture, we examined the molecular HOMO and molecular LUMO generated via Hyperchem. The study reveals that the mono-O-Hydroxy bidentate Schiff bases have large β values and hence in general may have potential applications in the development of nonlinear optical materials.

Exploration of new second-order nonlinear optical materials of the Cs–Hg–Br–I system

2014 ◽  
Vol 43 (23) ◽  
pp. 8899-8904 ◽  
Author(s):  
Qi Wu ◽  
Yin Huang ◽  
Xianggao Meng ◽  
Cheng Zhong ◽  
Xingguo Chen ◽  
...  
Keyword(s):  
Optical Properties ◽  
Band Gap ◽  
Optical Materials ◽  
Nonlinear Optical ◽  
Second Order ◽  
Nonlinear Optical Properties ◽  
Nonlinear Optical Materials ◽  
System P

A new compound, Cs2Hg2Br2I4·H2O, was synthesized to achieve a better balance between nonlinear optical properties and its band gap.

Nonlinear optical materials: Synthesis, characterizations, thermal stability and electro-optical properties

2007 ◽  
Vol 58 (3) ◽  
pp. 275-283 ◽  
Author(s):  
Fengxian Qiu ◽  
Hongliang Xu ◽  
Yonglin Cao ◽  
Yan Jiang ◽  
Yuming Zhou ◽  
...  
Keyword(s):  
Thermal Stability ◽  
Optical Properties ◽  
Optical Materials ◽  
Nonlinear Optical ◽  
Nonlinear Optical Materials ◽  
Materials Synthesis

Facile synthesis of benzothiadiazole-based chromophores for enhanced performance of second-order nonlinear optical materials

2016 ◽  
Vol 4 (38) ◽  
pp. 9094-9102 ◽  
Author(s):  
Ming Li ◽  
Hui Zhang ◽  
Yan Zhang ◽  
Baoshan Hou ◽  
Chuangyang Li ◽  
...  
Keyword(s):  
Optical Properties ◽  
Optical Materials ◽  
Nonlinear Optical ◽  
Second Order ◽  
Nonlinear Optical Materials ◽  
Facile Synthesis

Incorporation of electron-deficient benzothiadiazole as auxiliary acceptor efficiently improved the electro-optical properties of chromophores.

Theoretical insights into the structural, photophysical and nonlinear optical properties of phenoxazin-3-one dyes

2019 ◽  
Vol 43 (34) ◽  
pp. 13616-13629
Author(s):  
Muhammed Jeneesh Kariyottu Kuniyil ◽  
Ramanathan Padmanaban
Keyword(s):  
Optical Properties ◽  
Quantum Chemical Calculations ◽  
Quantum Chemical ◽  
Nonlinear Optical ◽  
Nonlinear Optical Properties ◽  
Nlo Properties

Here we investigate the structural, photophysical and nonlinear optical (NLO) properties of phenoxazin-3-one dyes, resazurin (Rz) and resorufin (Rf), by performing quantum chemical calculations using the DFT and TDDFT methods.

Y-shaped potential third-order nonlinear optical material – 3-(2-amino-2-oxoethyl)-5-methyl hexanoic acid: an analysis of structural, spectroscopic and docking studies

2020 ◽  
Vol 44 (42) ◽  
pp. 18185-18198
Author(s):  
Nuthalapati Poojith ◽  
Krishna Murthy Potla ◽  
Francisco A. P. Osório ◽  
Clodoaldo Valverde ◽  
Suneetha Vankayalapati ◽  
...  
Keyword(s):  
Optical Properties ◽  
Optical Materials ◽  
Nonlinear Optical ◽  
Docking Studies ◽  
Hexanoic Acid ◽  
Nonlinear Optical Materials ◽  
Nonlinear Optical Material ◽  
Third Order ◽  
Title Molecule ◽  
Relationship Of

The merit of this work is that it has clearly established the structure and the nonlinear optical properties relationship of the title molecule and it could be helpful for developing new nonlinear optical materials.

Molecular nonlinear optical materials

1990 ◽  
Vol 330 (1610) ◽  
pp. 127-140 ◽  
Keyword(s):  
Optical Properties ◽  
Optical Materials ◽  
Nonlinear Optical ◽  
Optoelectronic Device ◽  
Nonlinear Optical Materials ◽  
Laser Damage ◽  
Organic Crystals ◽  
Active Components ◽  
High Quality ◽  
Inorganic Systems

Some organic crystalline solids that comprise highly polar molecules and that form non-centrosymmetric crystal structures exhibit second-order nonlinear optical properties and laser-damage thresholds that are potentially superior to those of currently available inorganic systems. This realization has led to a search for organic materials with improved properties and also to the consideration of organic crystals as active components in optical and optoelectronic device systems. Empirical and theoretical attempts have been made to predict novel molecules, which when synthesized might form, or be engineered to form, non-centrosymmetric crystals of even greater potential than the known systems. In parallel, efforts have been made to grow high quality, optically perfect, single crystals for the evaluation of the optical properties and device potential of this class of material. Data obtained on the resulting range of materials and crystals serve to confirm this potential.

Quantum chemical calculations and experimental studies of third-order nonlinear optical properties of conjugated TTF–quinones

2013 ◽  
Vol 36 (1) ◽  
pp. 22-26 ◽  
Author(s):  
A. Karakas ◽  
A. Migalska-Zalas ◽  
Y. El Kouari ◽  
A. Gozutok ◽  
M. Karakaya ◽  
...  
Keyword(s):  
Optical Properties ◽  
Quantum Chemical Calculations ◽  
Quantum Chemical ◽  
Nonlinear Optical ◽  
Experimental Studies ◽  
Nonlinear Optical Properties ◽  
Third Order

Inelastic Neutron Scattering Studies of Nonlinear Optical Materials: p-Nitroaniline Adsorbed in Alpo-5

1989 ◽  
Vol 166 ◽  
Author(s):  
Jacqueline M. Nicol ◽  
Terrence J. Udovic ◽  
J.J. Rush ◽  
Sherman D. Cox ◽  
Galen D. Stucky
Keyword(s):  
Optical Properties ◽  
Hydrogen Bonding ◽  
Neutron Scattering ◽  
Molecular Sieve ◽  
Optical Materials ◽  
Nonlinear Optical ◽  
Inelastic Neutron Scattering ◽  
Inelastic Neutron ◽  
Nonlinear Optical Materials ◽  
Ca 50

ABSTRACTInelastic neutron scattering has been used to characterize the vibrational spectroscopy below 220 meV of para-nitroaniline adsorbed in the molecular sieve ALPO-5. Samples at loadings of both 3 and 13 weight %, which represent the onset of and the maximum in the nonlinear optical properties respectively, were studied. The torsional vibration of the amino (NH2) group has been identified at ca. 50 meV. The splitting and structure of this mode is sensitive to the loading level. This can be related to differences in the nature of the hydrogen bonding in these materials.

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