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RESEARCH PAPER · Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy · 2011

Physicochemical studies of molecular hyperpolarizability of imidazole derivatives

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Physicochemical studies of molecular hyperpolarizability of imidazole derivativesOriginalSolvatochromic Studies of Fluorescent Azo Dyes: Kamlet-Taft (π*, α and β) and Catalan (Spp, SA and SB) Solvent Scales Approach17A physiochemical study of azo dyes: DFT based ESIPT process39Physicochemical studies of bioactive heterocycles of some novel imidazole derivatives as sensitive NLO materials19Light-emitting materials from cyclometalated heteroleptic iridium(III) complexes—A physicochemical study2Fluorescence spectral studies of some imidazole derivatives29Synthesis and physico-chemical studies of cyclometalated heteroleptic iridium(III) complexes6Synthesis, structural, vibrational spectral, nonlinear optical, electron transfer studies of N-(5-chloro-2-hydroxyphenyl)-(3-bromo-6-oxocyclohexa-2,4-dienylidene)methylamine4Electronic properties of phenanthrimidazoles as hole transport materials in organic light emitting devices and in photoelectron transfer to ZnO nanoparticles13Vibrational spectroscopic (FT-IR and FT-Raman) studies, natural bond orbital analysis and molecular electrostatic potential surface of Isoxanthopterin36Synthesis, structure, vibrational spectral, nonlinear optical and electron-behavioral studies of N-(5-chloro-2-hydroxyphenyl)-(3-hydroxyphenyl)-methalimine11Nonlinear optical properties of dihydrobenzothiazolylidene and dihydroquinoinylidene compounds11Photophysical properties of the intramolecular excited charge-transfer states of π-expanded styryl phenanthrimidazoles – effect of solvent polarity22Synthesis, characterization and theoretical investigation of the structure, electronic properties and third-order optical nonlinearity of M(dnpi)2 (M = Cu2+, Co2+ and Pb2+; dnpi = 4,5-Diphenyl-2-(4-nitrophenyl)-1H-imidazole)3Sensitive and Selective PET-Based π-expanded Phenanthrimidazole Luminophore for Zn2+ Ion8Synthesis, characterization and theoretical investigations of the structure, electronic properties and third-order nonlinearity optics (NLO) of M(DPIP)22Structures and third-order nonlinear optical properties of two three-dimensional Cd( ii ) coordination polymers with trinodal (3, 4, 5) and dinodal (4, 5) connected network topologies21Experimental and DFT studies on the vibrational and electronic spectra of 2-(4,5-phenyl-1H-imidazole-2-yl)-phenol6Fluorescence tuning of 2-(1H-Benzimidazol-2-yl)phenol-ESIPT process26Synthesis, crystal structure analysis, spectral IR, NMR UV–Vis investigations, NBO and NLO of 2-benzoyl-N-(4-chlorophenyl)-3-oxo-3-phenylpropanamide with use of X-ray diffractions studies along with DFT calculations71NLO response of derivatives of benzene, stilbene and diphenylacetylene: MP2 and DFT calculations20Bis (thiourea) strontium chloride as promising NLO material: An experimental and theoretical study33In Silico Quantum Chemical and Crystallographic Treatment of α‐Formylketene Dithioacetal towards the Elucidation of Its Structural and Optical Nature12Nano-SiO 2 : An Efficient Catalyst for the Synthesis of Some new Benzimidazoles - NMR Spectral Characterization9Experimental and Theoretical Investigations of Tetrakis (Thiourea) Palladium Chloride Semi-Organic Non-Linear Optical Crystal: An Approach to NLO Application11Experimental and Computational Studies of Bis(thiourea) Lead Chloride: Semi-organic Material for NLO Applications4Theoretical study of the azo dyes dissociation by advanced oxidation using Fukui indices. DFT calculations30Molecular Interaction of Hemorrheologic Agent, Pentoxifylline with Bovine Serum Albumin: An Approach to Investigate the Drug Protein Interaction Using multispectroscopic, Voltammetry and Molecular Modelling Techniques8Theoretical modification of C24 fullerene with single and multiple alkaline earth metal atoms for their potential use as NLO materials35Carbon nanotubes functionalized with newly synthesized benzimidazole derivative for corrosion inhibition on the nickel alloy surface in a sulfuric acidic medium2Nonlinear optical properties DFT calculations of polyacethylene and copolymers models substituted with aldimines chromophores as side chains3NMR spectral, DFT and antibacterial studies of triazole derivatives6NMR and FT-IR Investigation Study and Topological Analysis of Various Conformations of 2,5-dimethyl-2,5-dihydroxyl-1,4-dithian using Density Functional Theory Method2Theoretical investigation of substitution effect on the sixth and seventh positions of coumarin derivatives9Effect of the central atom and donor on linear and nonlinear optical properties of tricyanopyrrolidone derivatives: DFT and TD-DFT approach3Synthesis, molecular structure, Hirshfeld surface analysis, NCI-RDG, spectral characterization analysis, nonlinear optical properties, and in silico molecular docking of (E)-3-(3-(2-methoxyphenyl)-4-methylthiazol-2(3H)-ylidene) benzo[4,5] imidazo [1,2-c] thiazole-1(3H)-thione15Nano Silica Catalyzed Synthesis, NMR Spectral and Photophysical Studies of Imidazole Derivatives6Theoretical Investigation of Substitution Effect on the First Position of Coumarin Derivatives1Growth, elemental, spectral, linear, photoconductivity, dielectric, thermal, and Z-scan analysis of benzotriazolium oxalate dihydrate single crystal for third-order harmonic generation applications3Nano Silica as a Catalyst for Efficient and Green Synthesis of Imidazole Derivatives: Exploring Catalytic, Photophysical, and Nonlinear Optical Properties6Enhancement of the dynamic range of the measurement of pH using a sensitive layer of methyl red-lophine2Novel Al(OH)3 and Ti/Fe@Al(OH)3 nano catalyzed of N-(3-((E)-3-(4-Adamant-1-yl)-phenyl) acryloyl) phenyl) quinoline-2-carboxamide Synthesis and its Molecular Docking, Quantum chemical Studies4Fluorescent and Colorimetric Indole Derivatives as Chemosensors: A Comprehensive Metal Ion Detection Review3CAM-B3LYP prediction of nonlinear optical properties in 1, 6- and 2, 7-(pyrene)n oligomers1Optical Characterization of a Sensitive Lophine Layer for the Detection of Hydrogen Ions (H+)2Synthesis, spectral studies, solvent effect and on-off fluorescence of 1-benzyl-4-fluoro-2-phenyl-1 H -benzo[ d ]imidazole: Fe 3+ -induced quenching and reversal by H 3 PO 45Febuxostat-isoniazid complex: Synthesis, spectral characterization, in vitro biological evaluation and in silico studies0A comparison of 4-disubstituted BODIPY and 4-disubstituted ALDIPY: DFT and TD-DFT studies0

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  1. Solvatochromic Studies of Fluorescent Azo Dyes: Kamlet-Taft (π*, α and β) and Catalan (Spp, SA and SB) Solvent Scales Approach

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  2. A physiochemical study of azo dyes: DFT based ESIPT process

    Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy · 2011-08-21

    Jayaraman Jayabharathi, Venugopal Thanikachalam, Marimuthu Venkatesh Perumal, Natesan Srinivasan

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  3. Physicochemical studies of bioactive heterocycles of some novel imidazole derivatives as sensitive NLO materials

    Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy · 2011-08-29

    Jayaraman Jayabharathi, Venugopal Thanikachalam, Natesan Srinivasan, Karunamoorthy Jayamoorthy

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  4. Light-emitting materials from cyclometalated heteroleptic iridium(III) complexes—A physicochemical study

    Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy · 2011-11-19

    Jayaraman Jayabharathi, Venugopal Thanikachalam, Natesan Srinivasan, Marimuthu Venkatesh Perumal

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  5. Fluorescence spectral studies of some imidazole derivatives

    Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy · 2012-01-25

    Jayaraman Jayabharathi, Venugopal Thanikachalam, Natesan Srinivasan, Marimuthu Venkatesh Perumal

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  6. Synthesis and physico-chemical studies of cyclometalated heteroleptic iridium(III) complexes

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    Jayaraman Jayabharathi, Venugopal Thanikachalam, Natesan Srinivasan, Karunamoorthy Jayamoorthy

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  7. Synthesis, structural, vibrational spectral, nonlinear optical, electron transfer studies of N-(5-chloro-2-hydroxyphenyl)-(3-bromo-6-oxocyclohexa-2,4-dienylidene)methylamine

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  8. Electronic properties of phenanthrimidazoles as hole transport materials in organic light emitting devices and in photoelectron transfer to ZnO nanoparticles

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  9. Vibrational spectroscopic (FT-IR and FT-Raman) studies, natural bond orbital analysis and molecular electrostatic potential surface of Isoxanthopterin

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    N. Prabavathi, A. Nilufer, V. Krishnakumar

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  10. Synthesis, structure, vibrational spectral, nonlinear optical and electron-behavioral studies of N-(5-chloro-2-hydroxyphenyl)-(3-hydroxyphenyl)-methalimine

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  11. Nonlinear optical properties of dihydrobenzothiazolylidene and dihydroquinoinylidene compounds

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    Yuanzuo Li, Jing Li, Runzhou Su, Jingang Cui

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  12. Photophysical properties of the intramolecular excited charge-transfer states of π-expanded styryl phenanthrimidazoles – effect of solvent polarity

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    Venugopal Thanikachalam, A. Arunpandiyan, Jayaraman Jayabharathi, P. Ramanathan

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  13. Synthesis, characterization and theoretical investigation of the structure, electronic properties and third-order optical nonlinearity of M(dnpi)2 (M = Cu2+, Co2+ and Pb2+; dnpi = 4,5-Diphenyl-2-(4-nitrophenyl)-1H-imidazole)

    Dyes and Pigments · 2014-01-03

    Shanshan Kou, Guodong Tang, Tingting Tang, Yu Zhang, Yinglin Song

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  14. Sensitive and Selective PET-Based π-expanded Phenanthrimidazole Luminophore for Zn2+ Ion

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    Jayaraman Jayabharathi, P. Ramanathan, Venugopal Thanikachalam, A. Arunpandiyan

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  15. Synthesis, characterization and theoretical investigations of the structure, electronic properties and third-order nonlinearity optics (NLO) of M(DPIP)2

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    Kang Cong Li, Guodong Tang, Shanshan Kou, Lance F. Culnane, Yu Zhang, Yinglin Song, Rongqing Li, Chang-Mei Wei

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  16. Structures and third-order nonlinear optical properties of two three-dimensional Cd( ii ) coordination polymers with trinodal (3, 4, 5) and dinodal (4, 5) connected network topologies

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    Zhaoxun Lian, Kai Yu Jiang, Tianjun Lou

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  17. Experimental and DFT studies on the vibrational and electronic spectra of 2-(4,5-phenyl-1H-imidazole-2-yl)-phenol

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    Yunfeng Ye, Guodong Tang, Tingting Tang, Lance F. Culnane, Jianyin Zhao, Yu Zhang

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  18. Fluorescence tuning of 2-(1H-Benzimidazol-2-yl)phenol-ESIPT process

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    Shipra Prakash, Karunamoorthy Jayamoorthy, Navaneethakrishnan Srinivasan, K.I. Dhanalekshmi

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  19. Synthesis, crystal structure analysis, spectral IR, NMR UV–Vis investigations, NBO and NLO of 2-benzoyl-N-(4-chlorophenyl)-3-oxo-3-phenylpropanamide with use of X-ray diffractions studies along with DFT calculations

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    Sibel Demi̇r Kanmazalp, Ahmet Oral Sarıoğlu, Semih Güler, Necmi Dege, Mehmet Sönmez

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  20. NLO response of derivatives of benzene, stilbene and diphenylacetylene: MP2 and DFT calculations

    Chinese Journal of Chemical Engineering · 2016-09-12

    Abdelkader M Elhorri, Mourad Zouaoui–Rabah

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  21. Bis (thiourea) strontium chloride as promising NLO material: An experimental and theoretical study

    Karbala International Journal of Modern Science · 2016-09-22

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  22. In Silico Quantum Chemical and Crystallographic Treatment of α‐Formylketene Dithioacetal towards the Elucidation of Its Structural and Optical Nature

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  24. Experimental and Theoretical Investigations of Tetrakis (Thiourea) Palladium Chloride Semi-Organic Non-Linear Optical Crystal: An Approach to NLO Application

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  25. Experimental and Computational Studies of Bis(thiourea) Lead Chloride: Semi-organic Material for NLO Applications

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  26. Theoretical study of the azo dyes dissociation by advanced oxidation using Fukui indices. DFT calculations

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  29. Carbon nanotubes functionalized with newly synthesized benzimidazole derivative for corrosion inhibition on the nickel alloy surface in a sulfuric acidic medium

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  30. Nonlinear optical properties DFT calculations of polyacethylene and copolymers models substituted with aldimines chromophores as side chains

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