Molecular structure, Hirshfeld surface and density functional theoretical analysis of a NLO active chalcone derivative single crystal—A quantum chemical approach
C Shruthi, V Ravindrachary, B Guruswamy… - Journal of Molecular …, 2021 - Elsevier
Nonlinear optically active thienyl chalcone, with molecular formula C 16 H 15 ClO 4 S has
been synthesized by adopting claisen-schimdt condensation reaction method. FT-IR and …
been synthesized by adopting claisen-schimdt condensation reaction method. FT-IR and …
Growth and characterization of dl-Mandelic acid (C6H5CH (OH) CO2H) single crystal for third-order nonlinear optical applications
P Jayaprakash, P Sangeetha, MP Mohamed… - Journal of Molecular …, 2017 - Elsevier
An organic conjugated chromophore dl-mandelic acid (DLMA) single crystal was
synthesized and grown-up by means of slow evaporation technique. Single crystal X-ray …
synthesized and grown-up by means of slow evaporation technique. Single crystal X-ray …
Investigation on Optical, Electrical, Third Harmonic Generation and Hirshfeld Analysis Characteristics of Novel Organic 3‐Amino‐1H‐1,2,4‐Triazole 3,5 …
SIL Britto, SP Muthu, G Bakthavatchallu… - Crystal Research …, 2023 - Wiley Online Library
Abstract The organic 3‐amino‐1H‐1, 2, 4‐triazole 3, 5‐dinitrobenzoic acid monohydrate (C9
H10 N6 O7)(H2O)(3ATDM) single crystal is synthesized and grown using the slow …
H10 N6 O7)(H2O)(3ATDM) single crystal is synthesized and grown using the slow …
Molecular properties, crystal structure, Hirshfeld surface analysis and computational calculations of a new third order NLO organic crystal, 2-aminopyridinium benzilate
S Madhankumar, P Muthuraja… - Journal of Molecular …, 2019 - Elsevier
A third order nonlinear optically active (NLO) organic proton transfer compound was
synthesized by the reaction between 2-aminopyridine and benzilic acid. Single crystals of …
synthesized by the reaction between 2-aminopyridine and benzilic acid. Single crystals of …
Synthesis, crystal structure, spectroscopic and computational studies of NLO active 2-methylimdazolium 4-nitrobenzoic acid single crystal
A Gopalakrishnan, C Sidden, S Magudeeswaran… - … Acta Part A: Molecular …, 2024 - Elsevier
In this report, we have presented the theoretical and experimental investigation of 2-
Methylimdazolium 4-Nitrobenzoic Acid (2MI4NB)–an organic crystal. The good quality …
Methylimdazolium 4-Nitrobenzoic Acid (2MI4NB)–an organic crystal. The good quality …
Crystal growth, Hirshfeld surface, quantum chemical calculations, optical, photoluminescence and thermal analyses of sodium D-isoascorbate monohydrate single …
R Sathyanarayanan, M Selvapandiyan… - Journal of Molecular …, 2023 - Elsevier
The metal-organic sodium D-isoascorbate monohydrate (NDAM) crystal was from grown
slow evaporation technique. The NDAM crystal belongs to an orthorhombic crystal system …
slow evaporation technique. The NDAM crystal belongs to an orthorhombic crystal system …
Theoretical and experimental evaluation of a new organic proton transfer crystal aminoguanidinium p-nitrobenzoate monohydrate for optical limiting applications
T Shanmugavadivu, K Senthilkumar… - Journal of Physics and …, 2017 - Elsevier
Aminoguanidinium p-nitrobenzoate monohydrate (AGPNB), an organic third order nonlinear
crystal, was successfully grown by the slow evaporation technique. Single crystal XRD …
crystal, was successfully grown by the slow evaporation technique. Single crystal XRD …
Structural characterization and DFT study of a new optical crystal: 2-amino-3-methylpyridinium-3, 5-dinitrobenzoate
K Sathya, P Dhamodharan, M Dhandapani - Optics & Laser Technology, 2018 - Elsevier
A new proton transfer complex was synthesized by the reaction between 2-amino-3-methyl
pyridine with 3, 5-dinitro benzoic acid in methanol solvent at room temperature. Chemical …
pyridine with 3, 5-dinitro benzoic acid in methanol solvent at room temperature. Chemical …
Growth, structural, spectral, Hirshfeld analysis, photoluminescence, linear and third order NLO properties of a novel organic p-toluidinium succinate succinic acid …
A novel organic p-toluidinium succinate succinic acid (PTSSA) single crystal with
dimensions 13× 09× 10 mm 3 was grown at ambient temperature by slow evaporation …
dimensions 13× 09× 10 mm 3 was grown at ambient temperature by slow evaporation …
Physico-chemical characterization, density functional theory (DFT) studies and Hirshfeld surface analysis of a new organic optical material: 1H-benzo [d] imidazol-3 …
P Dhamodharan, K Sathya, M Dhandapani - Journal of Molecular Structure, 2017 - Elsevier
A novel organic crystal, 1H-benzo [d] imidazol-3-ium-2, 4, 6-trinitrobenzene-1, 3 bis
(olate)(BITB), was synthesized. Single crystals of BITB were harvested by solution growth …
(olate)(BITB), was synthesized. Single crystals of BITB were harvested by solution growth …