Structural, linear, and nonlinear optical properties of ortho-carboranyl luminophores: insights from DFT and TD-DFT studies

Djamila Samsar, Douniazed Hannachi, Meriem Zaidi, Olivier Aroule, Guillaume Hoffmann and Henry Chermette

RSC Adv., 2026, 16, 21220
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Excited-state dynamics of colloidal gold nanoshells functionalized with trimethoxysilylazachalcones

Marta Gordel-Wójcik, Muhammed A. Thottappali, Marek Pietrzak, Elizaveta F. Petrusevich, Jiří Vohlídal, Jiří Pfleger and Beata Jędrzejewska

J. Mater. Chem. C, 2026, 14, 3994
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Molecular modeling and nonlinear optical properties of new isostructural halogenated dihydroquinolinones

Loide O. Sallum, Clodoaldo Valverde, Igor L. Andrade, Giulio D. C. D’Oliveira, Caridad N. Perez, Ademir J. Camargo, Francisco A. P. Osório, Tertius L. Fonseca and Hamilton B. Napolitano

New J. Chem., 2022, 46, 14192
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Halogen-substitution-driven crystal engineering of chalcones: mechanisms and optimization for spatial ordering and nonlinear optical performance

Jinkang Ma, Fanghao Xuan, Qi Chu, Yaqi Qin, Zhiyuan Zhang, Yuekai Wu, Yangkai Zhang, Bing Teng and Lifeng Cao

CrystEngComm, 2026, 28, 344
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Bis-TTF-Ge derivatives: promising linear and nonlinear optical properties, a theoretical investigation

Dalila Kamli, Douniazed Hannachi, Djamila Samsar and Henry Chermette

New J. Chem., 2023, 47, 1234
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Design, synthesis and characterization of a novel oxygen-containing heterocycle crystal with NLO properties

Xueting Mu, Fei You, Jinkang Ma, Rui Chen, Kai Xu, Tianhua Wang, Degao Zhong, Lifeng Cao and Bing Teng

Optik, 2023, 282, 170851
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The change of hydrogen position on π-conjugated bridge to affect NLO property of D(–NH2)-π(DHTPs)-A(–NO2) system

Shuang-Rui Wang, Yao Yao, Zhong-Min Su, Yan-Ling Liu and Hong-Liang Xu

Computational and Theoretical Chemistry, 2023, 1220, 114004
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Unraveling the structure–property relationship of novel thiophene and furan‐fused cyclopentadienyl chromophores for nonlinear optical applications

Hejing Sun

J Comput Chem, 2024
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Two-Photon Absorption and Dynamics of Excited States in Bromochalcone Derivatives

Nathan B. Marucci, João V. P. Valverde, Gabriel de O. Campos, Eli S. A. Ducas, Pablo J. Gonçalves, Leonardo De Boni and Cleber R. Mendonça

J. Phys. Chem. A, 2025, 129, 9119
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Competing third- and fifth-order optical nonlinearities in push–pull anthracenyl chalcones probed by intensity-dependent femtosecond Z-scan

Nur Aisyah Mohamad Daud, Qin Ai Wong, Bi Sheng Ooi, Hassan A, Shivaraj R. Maidur, Yip-Foo Win, Venugopal Rao Soma and Ching Kheng Quah

Optical Materials, 2026, 176, 118075
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Study of Nonlinear Optical Properties of a Self-Healing Organic Crystal

Clodoaldo Valverde and Francisco A. P. Osório

ACS Omega, 2024, 9, 38295
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Nonlinear optical properties of pyrene-based chalcones: Insights from experimental and computational studies

Saleh K. Alsaee, Elham Mzwd, Shawbo Abdulsamad Abubaker, Suhana Arshad, Abdullah Abdulhameed and Ibrahim Abdul Razak

Journal of Molecular Structure, 2026, 1362, 145745
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First-order molecular hyperpolarizability of xanthoangelol derivatives

Felipe A. Santos, Hugo J. N. P. D. Mello, Martin S. Barbosa and Luis M. G. Abegão

Eur. Phys. J. Plus, 2025, 140
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Observation of the two-photon transition enhanced first hyperpolarizability spectra in cinnamaldehyde derivatives: A femtosecond regime study

Carlos H. D. dos Santos, Leandro H. Zucolotto Cocca, André Gasparotto Pelosi, Vasco F. Batista, Diana C. G. A. Pinto, M. Amparo F. Faustino, Marcelo G. Vivas, Jonathas de Paula Siqueira, Cleber R. Mendonça and Leonardo De Boni

The Journal of Chemical Physics, 2023, 158
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Augmenting the effect of solvents on optical nonlinearity by spectroscopic, DFT, solvatochromism and z-scan studies of push-pull chalcone: (2E)-1-(4-ethoxyphenyl)-3-(4-methoxyphenyl)prop-2-en-1-one

Elizabeth Mathew, I. Hubert Joe, K.R. Harshitha and B.K. Sarojini

Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 2024, 321, 124698
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DFT investigation of functional group effects on the structure of tetraphenyl porphyrin for enhanced nonlinear optical properties

Muhammad Hasnain, Shafiq Urrehman, Afifa Yousuf, Muhammad Arif Ali, Tazeem Fatima, Shamsa Bibi and Fu-Quan Bai

Chem. Pap., 2025, 79, 6809
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Structure-property analysis of dithienopyrrole-based D-π-A-π-D compounds: Electronic and nonlinear optical responses with advanced python-based visualizations

Kamal Ziadi, Abdellatif Aouragh and Abdelatif Messaoudi

Journal of Molecular Graphics and Modelling, 2025, 140, 109113
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Verbenone‐based push–pull chromophores with giant first hyperpolarizabilities: A new structure–property correlation study

Hejing Sun

Int J of Quantum Chemistry, 2024, 124
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A first principles study of nonlinear optical properties of a quinoline derivative

Renato Medeiros, Clodoaldo Valverde, Md. Serajul Haque Faizi, Asif Jamal and Francisco A. P. Osório

Int J of Quantum Chemistry, 2023, 123
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Imine based Four-Ring Chalcone-Ester liquid Crystals: Synthesis, Characterization, mesomorphic behaviour and DFT approach

Kanu D. Katariya, Kiran J. Nakum, Harnish Soni, Shady Nada and Mohamed Hagar

Journal of Molecular Liquids, 2023, 380, 121719
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New push–pull ladder-type chromophores with large hyperpolarizability for nonlinear optical application

Hejing Sun

Struct Chem, 2025, 36, 39
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Studying the first order hyperpolarizability spectra in chalcone-based derivatives and the relation with one- and two-photon absorption transitions

Lucas F. Sciuti, Carlos H. D. dos Santos, Leandro H. Z. Cocca, André G. Pelosi, Rafaela G. M. da Costa, Jones Limberger, Cleber R. Mendonça and Leonardo De Boni

The Journal of Chemical Physics, 2023, 159
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Synthesis, characterization, and supramolecular analysis of a novel chalcone derivative: exploring nonlinear optical applications

Luiz B. Costa, Cristiane A. F. E. Santos, Jaqueline E. Queiroz, Antônio S. N. Aguiar, Lóide O. Sallum, Jean M. F. Custodio, Gilberto L. B. Aquino, Ademir J. Camargo, Clodoaldo Valverde and Hamilton B. Napolitano

Rend. Fis. Acc. Lincei, 2024, 35, 131
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Solvent-dependent photophysics of a hydroxychalcone: UV–Vis/fluorescence solvatochromism, hydrogen bonding, and computed hyper-Rayleigh first hyperpolarizability

Cristiane Alves da Fonseca E. Santo, Ademir J. Camargo, Gilberto L.B. Aquino, Jaqueline C. Desordi, Amanda G. Claudino, Pablo J. Gonçalves, Francisco A.P. Osório and Clodoaldo Valverde

Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 2026, 358, 127870
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Experimental and theoretical approach on third-order optical nonlinearity of a highly efficient anthracene-based chalcone derivative for optical power limiting

Elizabeth Mathew, Vinutha V. Salian, B. Narayana and I. Hubert Joe

Journal of Molecular Structure, 2022, 1250, 131704
DOI: 10.1016/j.molstruc.2021.131704

Crafting optical wonders: The interplay of electron push–pull dynamics and π-conjugation in non–linear optics

Asad Ullah, Muhammad Ibrahim, Afifa Yousuf, Muhammad Arif Ali, Hong-Liang Xu and Muhammad Arshad

Next Materials, 2025, 9, 101239
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Unraveling the structure–property relationship of a chalcone-based push–pull molecule for optical limiting application in high-powered laser

P. Yuvashri, T. Karthick, J. Roshni and Shobha R. Prabhu

Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 2023, 303, 123245
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Second- and third-order nonlinear optical properties of mono-substituted terpenoid-like chalcones

Diego S. Manoel, André G. Pelosi, Leandro H. Zucolotto Cocca, Gustavo F.B. Almeida, Lucas F. Sciuti, Ruben D.F. Rodriguez, Luizmar Adriano Junior, Rosa S. Lima, Caridad Noda-Perez, Felipe T. Martins, Marcio A.R. Souza, Pablo J. Gonçalves, Tertius L. Fonseca, Leonardo de Boni and Cleber R. Mendonça

Journal of Photochemistry and Photobiology A: Chemistry, 2022, 429, 113898
DOI: 10.1016/j.jphotochem.2022.113898

Probing the REDOX effect of helical tetraspirobenzene on nonlinear optical properties

Ye-Xuan Li, Zhong-Min Su and Hong-Liang Xu

Molecular Physics, 2024, 122
DOI: 10.1080/00268976.2023.2268745

Synthesis, spectroscopic characterization, and DFT-based solvation studies of static and dynamic Nonlinear Optical activity and Light Harvesting Efficiency of 5-nitro-3-phenyl-7-azaindole

Sujoy Karmakar, Subir Podder, Subham Dey, Soumen Saha and Abhik Chatterjee

Optical Materials, 2025, 158, 116485
DOI: 10.1016/j.optmat.2024.116485

Synthesis, characterization, linear and nonlinear optical features of novel organic compound Pyridylcarboxamide chalcone for nonlinear optical applications

N. Sudha, R. Surendran and S. Jeyaram

Optical Materials, 2022, 131, 112668
DOI: 10.1016/j.optmat.2022.112668

Experimental and theoretical investigation of a novel dihydropyridine derivative: Synthesis, photophysical characterization, and enhanced nonlinear optical properties in solvent media

Sujoy Karmakar, Clodoaldo Valverde, Francisco A.P. Osório, Subham Dey, Subir Podder and Abhik Chatterjee

Journal of Molecular Structure, 2025, 1348, 143444
DOI: 10.1016/j.molstruc.2025.143444