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

Physicochemical and solvatochromic analysis of an imidazole derivative as NLO material

Jayaraman Jayabharathi, Venugopal Thanikachalam, Marimuthu Venkatesh Perumal

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Physicochemical and solvatochromic analysis of an imidazole derivative as NLO materialOriginalPhysicochemical studies of chemosensor imidazole derivatives: DFT based ESIPT process52Photophysical studies of fused phenanthrimidazole derivatives as versatile π-conjugated systems for potential NLO applications19Photophysical and computational studies of novel heterocyclic imidazole derivatives containing trifluoromethyl group substituent5Studies on interaction between an imidazole derivative and bovine serum by spectral methods10Electronic absorption, vibrational spectra, nonlinear optical properties, NBO analysis and thermodynamic properties of N-(4-nitro-2-phenoxyphenyl) methanesulfonamide molecule by ab initio HF and density functional methods60Electronic properties of phenanthrimidazoles as hole transport materials in organic light emitting devices and in photoelectron transfer to ZnO nanoparticles13Kamlet–Taft and Catalán solvatochromism of some π-expanded phenanthrimidazole derivatives – DFT analysis4Novel synthesis, structural analysis, photophysical properties and theoretical study of 2,4,5-tris(2-pyridyl)imidazole15Vibrational spectroscopic study, structural analysis, photophysical properties and theoretical calculations of cis-(±)-2,4,5-tris(pyridin-2-yl)imidazoline10Fluorinated cyclometalated iridium( iii ) complexes as mitochondria-targeted theranostic anticancer agents48Synthesis, crystal structure, DFT studies and photophysical properties of a copper(I)–triphenylphosphane complex based on trans-(±)-2,4,5-tris(pyridin-2-yl)-2-imidazoline8A novel Schiff base complex of brain fuel (sugar) coordinated with intelligence mineral (Zn): Synthesis, conjoint DFT-experimental evaluation and super oxide dismutation23Heteroleptic Cu(I) complexes containing polypyridyl ligands and triphenylphosphine: Synthesis, structure, photophysical properties, DFT studies and applications in co-sensitized solar cells17Photophysical and theoretical investigations of diarylimidazole derivative with application as a fluorescence sensor for Fe(III)8In silico Investigations on Structure, Reactivity Indices, NLO properties, and Bio-evaluation of 1-benzyl-2-phenyl-1H-benzimidazole Derivatives using DFT and Molecular Docking Approaches4Theoretical calculations of nonlinear optical responses for interpreting nonconjugated molecular systems to affect non-optimal properties5Investigation on the effect of complex formation on prominent high static/dynamic first and second hyperpolarizability of Co(II) complex including 4-chloro-Pyridine-2-Carboxylic acid15Synthesis and Optical Properties of 2-(4-trifluoromethylphenyl)-3-(4-methoxyphenyl) Acrylonitrile (4MPAN-TFMP) Compounds3Computational analysis of chalcogen-enhanced triphenylamine–based D-π-A sensitizers for DSSCs: a DFT study8Rational design of triphenylamine-based sensitizers for DSSCs: a DFT comparison of pyridine and amine donor substituents0Unveiling the auxiliary acceptor role of azo spacers in triphenylamine-based sensitizers: A computational insight into spectral broadening and charge transfer mechanisms0The static nonlinear optical properties of imidazole-based π-Conjugated Scaffolds in Organic Electronics: Experimental synthesis and theoretical investigation0

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  1. Physicochemical studies of chemosensor imidazole derivatives: DFT based ESIPT process

    Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy · 2011-12-29

    Jayaraman Jayabharathi, Venugopal Thanikachalam, Karunamoorthy Jayamoorthy

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  2. Photophysical studies of fused phenanthrimidazole derivatives as versatile π-conjugated systems for potential NLO applications

    Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy · 2012-02-22

    Jayaraman Jayabharathi, Venugopal Thanikachalam, Marimuthu Venkatesh Perumal

    Read original paper ↗ ·

  3. Photophysical and computational studies of novel heterocyclic imidazole derivatives containing trifluoromethyl group substituent

    Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy · 2012-04-23

    Jayaraman Jayabharathi, Marimuthu Venkatesh Perumal, Venugopal Thanikachalam

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  4. Studies on interaction between an imidazole derivative and bovine serum by spectral methods

    Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy · 2012-04-24

    Jayaraman Jayabharathi, Venugopal Thanikachalam, Marimuthu Venkatesh Perumal

    Read original paper ↗ ·

  5. Electronic absorption, vibrational spectra, nonlinear optical properties, NBO analysis and thermodynamic properties of N-(4-nitro-2-phenoxyphenyl) methanesulfonamide molecule by ab initio HF and density functional methods

    Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy · 2013-02-15

    Thamilselvan Rajamani, S. Muthu, Mehmet Karabacak

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

    Journal of Physical Organic Chemistry · 2013-04-02

    Chockalingam Karunakaran, Jayaraman Jayabharathi, Marimuthu Venkatesh Perumal, Venugopal Thanikachalam, Prasoon Kumar Thakur

    Read original paper ↗ ·

  7. Kamlet–Taft and Catalán solvatochromism of some π-expanded phenanthrimidazole derivatives – DFT analysis

    Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy · 2014-06-02

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

    Read original paper ↗ ·

  8. Novel synthesis, structural analysis, photophysical properties and theoretical study of 2,4,5-tris(2-pyridyl)imidazole

    Journal of Molecular Structure · 2015-06-18

    Alberto Báez-Castro, Jesús Baldenebro-López, Daniel Glossman‐Mitnik, Herbert Höpfl B, Adriana Cruz‐Enríquez, Valentín Miranda‐Soto, Miguel Parra‐Hake, José J. Campos‐Gaxiola

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  9. Vibrational spectroscopic study, structural analysis, photophysical properties and theoretical calculations of cis-(±)-2,4,5-tris(pyridin-2-yl)imidazoline

    Journal of Molecular Structure · 2016-10-24

    Jesús Baldenebro-López, Alberto Báez-Castro, Daniel Glossman‐Mitnik, Herbert Höpfl B, Adriana Cruz‐Enríquez, Valentín Miranda‐Soto, Miguel Parra‐Hake, José J. Campos‐Gaxiola

    Read original paper ↗ ·

  10. Fluorinated cyclometalated iridium( iii ) complexes as mitochondria-targeted theranostic anticancer agents

    Dalton Transactions · 2017-01-01

    Miao Ouyang, Leli Zeng, Huaiyi Huang, Chengzhi Jin, Jiangping Liu, Yu Chen, Liang‐Nian Ji, Hui Chao

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  11. Synthesis, crystal structure, DFT studies and photophysical properties of a copper(I)–triphenylphosphane complex based on trans-(±)-2,4,5-tris(pyridin-2-yl)-2-imidazoline

    Acta Crystallographica Section C Structural Chemistry · 2017-02-21

    Alberto Báez-Castro, Jesús Baldenebro-López, L.G. Ceballos-Mendivil, Perla Patricia Román-Bravo, Herbert Höpfl B, Valentín Miranda‐Soto, Daniel Glossman‐Mitnik, Adriana Cruz‐Enríquez, José J. Campos‐Gaxiola

    Read original paper ↗ ·

  12. A novel Schiff base complex of brain fuel (sugar) coordinated with intelligence mineral (Zn): Synthesis, conjoint DFT-experimental evaluation and super oxide dismutation

    Karbala International Journal of Modern Science · 2017-06-08

    Jan Mohammad Mir, RAM CHARITRA MAURYA, Deepak Kumar Rajak, Bashir Ahmad Malik, Pushpendra Singh Jaget, N. Jain

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  13. Heteroleptic Cu(I) complexes containing polypyridyl ligands and triphenylphosphine: Synthesis, structure, photophysical properties, DFT studies and applications in co-sensitized solar cells

    Inorganica Chimica Acta · 2017-07-05

    Alberto Báez-Castro, Jesús Baldenebro-López, Adriana Cruz‐Enríquez, Herbert Höpfl B, Daniel Glossman-Mitnik, Valentín Miranda‐Soto, Miguel Parra‐Hake, Edgar Alonso Reynoso‐Soto, José J. Campos‐Gaxiola

    Read original paper ↗ ·

  14. Photophysical and theoretical investigations of diarylimidazole derivative with application as a fluorescence sensor for Fe(III)

    Journal of Molecular Structure · 2020-09-03

    Marimuthu Venkatesh Perumal, Veerasamy Sathish, Logesh Mathivathanan

    Read original paper ↗ ·

  15. In silico Investigations on Structure, Reactivity Indices, NLO properties, and Bio-evaluation of 1-benzyl-2-phenyl-1H-benzimidazole Derivatives using DFT and Molecular Docking Approaches

    Biointerface Research in Applied Chemistry · 2022-06-06

    Read original paper ↗ ·

  16. Theoretical calculations of nonlinear optical responses for interpreting nonconjugated molecular systems to affect non-optimal properties

    Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy · 2024-10-09

    Cihat Güleryüz, Sajjad Hussain Sumrra, Ayesha Mohyuddin, Abrar U. Hassan, Alaa Dahshan

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  17. Investigation on the effect of complex formation on prominent high static/dynamic first and second hyperpolarizability of Co(II) complex including 4-chloro-Pyridine-2-Carboxylic acid

    Materials Science in Semiconductor Processing · 2024-12-03

    Merve Şimşek, Ömer Tamer, Necmi Dege, Davut Avcı, Yusuf Atalay

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  18. Synthesis and Optical Properties of 2-(4-trifluoromethylphenyl)-3-(4-methoxyphenyl) Acrylonitrile (4MPAN-TFMP) Compounds

    Journal of Physical Chemistry and Functional Materials · 2024-12-18

    Leyla Babali Özen, Furkan Özen, Bayram Gündüz, Günseli Turgut Cin

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  19. Computational analysis of chalcogen-enhanced triphenylamine–based D-π-A sensitizers for DSSCs: a DFT study

    Structural Chemistry · 2025-01-14

    Alberto Báez-Castro, Carlos A. Peñuelas, Rody Abraham Soto-Rojo, Samuel Soto-Acosta, Tomás Delgado-Montiel, Manuel Luque-Román, María Edith Ruelas-Ávila, Daniel Glossman‐Mitnik, Jesús Baldenebro-López

    Read original paper ↗ ·

  20. Rational design of triphenylamine-based sensitizers for DSSCs: a DFT comparison of pyridine and amine donor substituents

    Journal of Molecular Modeling · 2025-09-25

    Damián Delgado-Montiel, Norma Flores‐Holguín, Jesús Baldenebro-López, Rody Abraham Soto-Rojo, Manuel Luque-Román, Tomás Delgado-Montiel, Daniel Glossman‐Mitnik

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  21. Unveiling the auxiliary acceptor role of azo spacers in triphenylamine-based sensitizers: A computational insight into spectral broadening and charge transfer mechanisms

    Journal of Molecular Graphics and Modelling · 2026-05-19

    Damián Delgado-Montiel, Norma Flores‐Holguín, Jesús Baldenebro-López, Rody Abraham Soto-Rojo, Tomás Delgado-Montiel, Manuel Luque-Román, Daniel Glossman‐Mitnik

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  22. The static nonlinear optical properties of imidazole-based π-Conjugated Scaffolds in Organic Electronics: Experimental synthesis and theoretical investigation

    Journal of Molecular Structure · 2026-10-01

    Ume Aiman, Muhammad Adeel, Syeda Maria Hashmi, Irfan Ullah, Z Hassan, Nida Rehman, Adnan Ahmed, Muhammad Zahid Mustafa

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