Novel nonlinear optical crystals of noncentrosymmetric structure based on hydrogen bonds interactions between organic and inorganic molecules

Debrus, S.; Ratajczak, H.; Venturini, J.; Pinçon, N.; Baran, J.; Barycki, J.; Głowiak, Tadeusz; Pietraszko, A.

doi:10.1016/s0379-6779(01)00607-5

Cited by 94 publications

(26 citation statements)

References 12 publications

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“…Hence the SHG efficiency of L-lysine trifluroacetate has shown an appreciable increase when compared to pure L-lysine molecules (0.1 times that of KDP). The results agreed well with the earlier reports on L-histidine derivatives [14,17].…”

Section: Resultssupporting

confidence: 93%

Synthesis and characterization of a new nonlinear optical single crystal: L‐Lysinium trifluoroacetate

Mathivanan

Raghavalu

Kovendhan

et al. 2008

Cryst. Res. Technol.

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Single crystals of a new L-Lysine salt: L-Lysinium trifluoroacetate {abbreviated as LLyTFA;+ CF 3 COO -} were grown by slow evaporation of an aqueous solution at room temperature. The grown crystals were subjected to single crystal X-ray diffraction, FTIR and UV-Vis-NIR spectrum analyses. The UV-Vis-NIR spectrum shows that the absorption is very less in the whole of the region from ultraviolet to near IR. The Kurtz-Perry powder SHG measurement using a Nd:YAG laser of wavelength 1064nm confirms the frequency doubling of the crystal and its powder SHG efficiency was measured as d eff = 0.96 d eff (KDP).

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Section: Resultssupporting

confidence: 93%

Synthesis and characterization of a new nonlinear optical single crystal: L‐Lysinium trifluoroacetate

Mathivanan

Raghavalu

Kovendhan

et al. 2008

Cryst. Res. Technol.

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“…Continuous gradual decrease in dielectric loss (tanδ) as well as r suggests that the crystals, similar to any normal dielectrics, may have domains of different sizes and varying relaxation times. In accordance with Miller rule, the lower value of dielectric constant is a suitable parameter for the enhancement of SHG efficiency [14]. The low value of dielectric loss (tanδ) in the region of high frequency for the sample suggests that the grown crystals possess enhanced optical quality with lesser number of electrically active defects and this parameter is of vital importance for non-linear optical materials in their applications [15].…”

Section: Dielectric Studiesmentioning

confidence: 67%

Synthesis and characterization of γ-glycine – a nonlinear optical single crystal for optoelectronic and photonic applications

Latha

Anbuchezhiyan²,

Kanakam

et al. 2017

Materials Science-Poland

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A single crystal of gamma-glycine (GG), a polymorph of glycine, was synthesized by crystallization. The single crystal of GG was grown from an aqueous solution. The morphology of GG was studied in order to assess its growth facets. The good quality single crystals were subjected to X-ray diffraction studies to reveal their structure. The FT-IR spectral analysis was carried out to confirm the presence of expected functional groups. The UV-Vis analysis was done for GG single crystals to determine the optical transparency and band gap. Simultaneous TG-DTA analysis was employed to understand the thermal and physicochemical stability of the title compound. The mechanical stability and laser stability of GG single crystal were studied using Vickers microhardness test and laser induced damage threshold on different planes of the crystal to reveal its anisotropic nature. The dielectric measurement was carried out as a function of frequency and the results were discussed. The existence of second harmonic generation (SHG) of the title compound was confirmed by Kurtz-Perry powder technique. The SHG effective nonlinearity and particle size dependence of GG powder sample were compared with a standard reference material: potassium dihydrogen phosphate (KDP).

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“…It is already established that the molecular hyperpolarizability and mechanical stabilities get enhanced in organic molecules containing O-H and N-H groups, which are involved in hydrogen bond interactions [69]. Urea is one of the prototypical molecules used in the study of the nonlinear optical (NLO) properties of molecular systems.…”

Section: Prediction Of Hyperpolarizabilitiementioning

confidence: 99%

Synthesis, spectroscopic investigations and computational study of monomeric and dimeric structures of 2-methyl-4-quinolinol

et al. 2015

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The present study aimed to determine an efficient and solvent-free method to synthesize 2-methyl-4-quinolinol (2MQ, also known as 4-hydroxy-2-methylquinoline) and includes spectroscopic investigations and computational studies. Molecular geometry and vibrational wavenumbers of 2MQ were investigated using the density functional (DFT/B3LYP) method with 6-311??G(d,p) and 6-311??G(2d,p) basis sets. According to calculations, the keto form of 2MQ is more stable than the annual form, and the dimeric conformation is predicted to be more stable than the monomeric conformations. A detailed analysis of the nature of the hydrogen bonding, using topological parameters such as electronic charge density, Laplacian, kinetic and potential energy density evaluated at the bond critical point, is also presented. The 1 H nuclear magnetic resonance chemical shifts of the molecule were calculated by the GIAO method. The molecule orbital contributions were studied by using total (TDOS) and partial (PDOS) density of states. The UV-visible spectrum of the compound was recorded and the electronic properties, such as HOMO and LUMO energies, were investigated by the time-dependent DFT (TD-DFT) approach. The linear polarizability (a) and the first-order hyperpolarizability (b) values of the investigated molecule were computed using DFT quantum mechanical calculations. The results show that the 2MQ molecule may have a nonlinear optical comportment with non-zero values. The stability and charge delocalization of the molecule was studied by natural bond orbital analysis.Electronic supplementary material The online version of this article (

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Novel nonlinear optical crystals of noncentrosymmetric structure based on hydrogen bonds interactions between organic and inorganic molecules

Cited by 94 publications

References 12 publications

Synthesis and characterization of a new nonlinear optical single crystal: L‐Lysinium trifluoroacetate

Synthesis and characterization of a new nonlinear optical single crystal: L‐Lysinium trifluoroacetate

Synthesis and characterization of γ-glycine – a nonlinear optical single crystal for optoelectronic and photonic applications

Synthesis, spectroscopic investigations and computational study of monomeric and dimeric structures of 2-methyl-4-quinolinol

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