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RESEARCH PAPER · Journal of Molecular Structure · 2014

Enhanced molecular first hyperpolarizability in s-triazine derivatives: Combined experimental and computational studies

Kolupula Srinivas, Prabhakar Chetti, Sanyasi Sitha, K. Bhanuprakash, V. Jayathirtha Rao

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42 direct citing works

Enhanced molecular first hyperpolarizability in s-triazine derivatives: Combined experimental and computational studiesOriginalMolecular structure, second- and third-order nonlinear optical properties and DFT studies of a novel non-centrosymmetric chalcone derivative: (2E)-3-(4-fluorophenyl)-1-(4-{[(1E)-(4-fluorophenyl)methylene]amino}phenyl)prop-2-en-1-one102A Quest towards Eccentric Piedfort Pairs4Substitution tuned electronic absorption, charge transfer and non-linear optical properties of some D–A type 2,4,6-trisubstituted-1,3,5-triazines: a DFT study9Impact of polycyclic aromatic hydrocarbons and heteroatomic bridges (N, S, and O) on optoelectronic properties of 1,3,5‐triazine derivatives: A computational insight5Theoretical assessment of the influences of aromatic bridges on molecular second order nonlinear optical responses of Donor-Bridge-Acceptor types of molecular organic chromophores33Roles of various bridges on intramolecular charge Transfers, dipole moments and first hyperpolarizabilities of Donor-Bridge-Acceptor types of organic Chromophores: Theoretical assessment using Two-State model24Nonlinear Optical Materials: Predicting the First-Order Molecular Hyperpolarizability of Organic Molecular Structures55Roles of bridges on Electronic, linear and nonlinear optical Properties: A computational study on zwitterions with N-methyl pyridinium and p-Dicyanomethanide phenylene13Metameric influences on conformational selectivity for zwitterionic pyridinium cyclopentadienide and its aza analogues. Quantum mechanical studies on linear and nonlinear optoelectronic properties4Influence of acceptors on the optical nonlinearity of 5 H -4-oxa-1,6,9-trithia-cyclopenta[ b ]-as-indacene-based chromophores with a push–pull assembly: a DFT approach25Enhanced optoelectronic properties with aromatic bridges: A computational study on N ‐methyl pyridinium and phenolate types of push‐pull zwitterions7Enhanced molecular first hyperpolarizabilities with Reichardt’s type of zwitterions: a computational study on roles of various monocyclic aromatic bridges4Enhanced Hyperpolarizabilities Through p‐Phenylene Bridges: Computational Studies on Metamerism and Functional Molecular Properties of Pyridinium–Dicyanomethanide‐Based Zwitterions2Design and evaluation of indacenothienothiophene based functional materials for second and third order nonlinear optics properties via DFT approach12Extrusion of carbon with SON in heterocycles for enhanced static and dynamic hyperpolarizabilities and light harvesting efficiencies22

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  1. Molecular structure, second- and third-order nonlinear optical properties and DFT studies of a novel non-centrosymmetric chalcone derivative: (2E)-3-(4-fluorophenyl)-1-(4-{[(1E)-(4-fluorophenyl)methylene]amino}phenyl)prop-2-en-1-one

    Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy · 2017-05-09

    Shivaraj R. Maidur, P. S. Patil, Anusha N. Ekbote, Tze Shyang Chia, Ching Kheng Quah

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  2. A Quest towards Eccentric Piedfort Pairs

    ChemistrySelect · 2018-05-03

    Sonam Mehrotra, Sakthi Raje, Anant Kumar Jain, Ankit Jain, Parameswaran Kandasamy, Ray John Butcher, Raja Angamuthu

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  3. Substitution tuned electronic absorption, charge transfer and non-linear optical properties of some D–A type 2,4,6-trisubstituted-1,3,5-triazines: a DFT study

    Bulletin of Materials Science · 2020-02-21

    V.M. Vidya, Prabhakar Chetti

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  4. Impact of polycyclic aromatic hydrocarbons and heteroatomic bridges (N, S, and O) on optoelectronic properties of 1,3,5‐triazine derivatives: A computational insight

    Journal of Physical Organic Chemistry · 2020-08-20

    Vidya V.M., Prabhakar Chetti

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  5. Theoretical assessment of the influences of aromatic bridges on molecular second order nonlinear optical responses of Donor-Bridge-Acceptor types of molecular organic chromophores

    Computational and Theoretical Chemistry · 2021-11-17

    Divya Pant, Nagasuneetha Darla, Sanyasi Sitha

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  6. Roles of various bridges on intramolecular charge Transfers, dipole moments and first hyperpolarizabilities of Donor-Bridge-Acceptor types of organic Chromophores: Theoretical assessment using Two-State model

    Computational and Theoretical Chemistry · 2021-12-29

    Divya Pant, Nagasuneetha Darla, Sanyasi Sitha

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  7. Nonlinear Optical Materials: Predicting the First-Order Molecular Hyperpolarizability of Organic Molecular Structures

    Photonics · 2023-05-08

    Francisco A. Santos, Carlos E. R. Cardoso, José Joatan Rodrigues Junior, Leonardo De Boni, Luis M. G. Abegão

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  8. Roles of bridges on Electronic, linear and nonlinear optical Properties: A computational study on zwitterions with N-methyl pyridinium and p-Dicyanomethanide phenylene

    Computational and Theoretical Chemistry · 2023-09-02

    Divya Pant, Sanyasi Sitha

    Read original paper ↗ ·

  9. Metameric influences on conformational selectivity for zwitterionic pyridinium cyclopentadienide and its aza analogues. Quantum mechanical studies on linear and nonlinear optoelectronic properties

    International Journal of Quantum Chemistry · 2023-12-12

    Sanyasi Sitha

    Read original paper ↗ ·

  10. Influence of acceptors on the optical nonlinearity of 5 H -4-oxa-1,6,9-trithia-cyclopenta[ b ]-as-indacene-based chromophores with a push–pull assembly: a DFT approach

    RSC Advances · 2024-01-01

    Muhammad Khalid, Shahzad Murtaza, Khansa Gull, Saba Abid, Muhammad Imran, Ataualpa Albert Carmo Braga

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  11. Enhanced optoelectronic properties with aromatic bridges: A computational study on N ‐methyl pyridinium and phenolate types of push‐pull zwitterions

    International Journal of Quantum Chemistry · 2024-01-04

    Divya Pant, Sanyasi Sitha

    Read original paper ↗ ·

  12. Enhanced molecular first hyperpolarizabilities with Reichardt’s type of zwitterions: a computational study on roles of various monocyclic aromatic bridges

    Journal of Molecular Modeling · 2024-07-26

    Divya Pant, Sanyasi Sitha

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  13. Enhanced Hyperpolarizabilities Through p‐Phenylene Bridges: Computational Studies on Metamerism and Functional Molecular Properties of Pyridinium–Dicyanomethanide‐Based Zwitterions

    Journal of Physical Organic Chemistry · 2024-09-10

    Sanyasi Sitha

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  14. Design and evaluation of indacenothienothiophene based functional materials for second and third order nonlinear optics properties via DFT approach

    Scientific Reports · 2025-04-17

    Saadia Haq, Muhammad Khalid, Ataualpa Albert Carmo Braga, Norah Saad Alhokbany, Ke Chen

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  15. Extrusion of carbon with SON in heterocycles for enhanced static and dynamic hyperpolarizabilities and light harvesting efficiencies

    Chemical Physics · 2025-04-26

    Farah Tayyaba Khan, Muhammad Ibrahim, Afifa Yousuf, Muhammad Arif Ali

    Read original paper ↗ ·
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