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RESEARCH PAPER · Journal of Molecular Structure · 2021

Design, synthesis and physico-chemical studies of a Co(II)/Co(III) mixed-valence complex: An experimental and DFT approach

Intissar Hamdi, Noureddine Mhadhbi, Noureddine Issaoui, Andreas Roodt, Mark M. Turnbull, Houcine Naı̈li

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42 direct citing works

Design, synthesis and physico-chemical studies of a Co(II)/Co(III) mixed-valence complex: An experimental and DFT approachOriginalA Simplistic Approach for Preparation of Alkylidenemalononitrile Derivatives: Characterization, In silico Studies, Quantum Chemical Evaluation, Molecular Docking, and In vitro Biological Activity Evaluation18Low pH-induced lone-pair activity in the hybrid (C6H10N2)[SnCl3]Cl: Chemical study and physical characterizations6Experimental and theoretical investigations on structural-function relationship of new iron (III) complex with 2-(Ammoniomethyl)pyridinium cation as ligand: A promising material for green solar cells10Excitation dependent white and red-NIR emission of a Mn II -based complex6Assembly of two new hybrid chloride materials with potential NLO properties: Structure elucidation, empirical and computational studies10New Low-Dimensional Lead-Free Perovskite (2-AMP)2BiX7·H2O (X = Cl, Br) Crystals: Synthesis, Stability, and Nonlinear Optical Properties27Removal of ultralow concentration arsenic by high-temperature synthesized tetragonal CuFe2O4 with surficial grafting hydroxyl11Design, theoretical study, druggability, pharmacokinetics and properties evolution of a new organo-bromocadmate compound as prospective anticancer agent23Structure/function relationships of a new stannate (IV) complex based on 5,7-dichloro-8-hydroxyquinolinium, accomplished with DFT calculations8RETRACTED: Solvent-solute polarity, electrophilic, steric effects, reactive sites, themodynamic quantities discussion and biological evaluation of lung cancer antiproliferative activities of spirobrassinin derivatives15Investigation on structural, thermal, electrical and optical properties of a new (OIH) material based Co(II)3Synthesis, Structural, Spectroscopic, Topological, NLO and Docking Analysis on 4-Ethoxy-3-Methoxy Benzaldehyde: experimental and Theoretical Approach2Spectroscopic, Topological and NLO Activity of N N’ Diphenyl Thiourea Acetone Monosolvate: Experimental and Theoretical Approach0Solvent-solute interaction, thermodynamic behaviour, structural, chemical and anti-cancer biological properties of 3(2H)-furanone derivatives21Computational studies into the chemical nature, thermal behaviour, solvent role, reactivity and biological evaluation of Rigidin E – A marine alkaloid with potent liver cancer inhibition4Design of a new palladium( ii ) halide complex as a bio-active material: synthesis, physico-chemical studies, DFT-computations and evaluation of anti-inflammatory, antioxidant and anti-gastric damage activities14Quantum computational, charge density, optical, molecular reactivity and thermodynamical analysis of Di-Halogen substituted nicotinic acid derivatives3Structural and Optical Characterization of a New Tetra- and Hexa-Coordinated Cd-Based Hybrid Compound with White Light Emission3Insights into Co (II)-based hybrid materials for photocatalytic and antioxidant applications3Synthesis, structural characterization and DFT study of a cobalt(III)/cobalt(II) complex derived from N,O donor reduced Schiff base ligand0X-ray Studies, Spectroscopic Characterization, and Biological Evaluation of Mixed-Valance Co(II)/(III) and µ-Chloride Bridged Mn(II) Carboxamide Complexes: Antioxidant and Antibacterial Properties1Synthesis, Characterization, and Biological Studies of a New Schiff Base Ligand Derived from 5-Amino-2-hydroxybenzoic Acid and Benzaldehyde and its Metal Complexes.1Structural, spectroscopic, thermal and biological insights into a new cadmium halide-based organic–inorganic hybrid material0Dual palladium sites and pseudo-gap optics in a 1D hybrid perovskite for sensing applications0

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  1. A Simplistic Approach for Preparation of Alkylidenemalononitrile Derivatives: Characterization, In silico Studies, Quantum Chemical Evaluation, Molecular Docking, and In vitro Biological Activity Evaluation

    Journal of Molecular Structure · 2020-10-17

    Iqbal Azad, Tahmeena Khan, Rumana Ahmad, Azhar Kamal, Abdul Rahman Khan, Malik Nasibullah

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  2. Low pH-induced lone-pair activity in the hybrid (C6H10N2)[SnCl3]Cl: Chemical study and physical characterizations

    Journal of Molecular Structure · 2021-09-05

    Imen Sayer, Necmi Dege, Houcine Ghalla, Houcine Naı̈li

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  3. Experimental and theoretical investigations on structural-function relationship of new iron (III) complex with 2-(Ammoniomethyl)pyridinium cation as ligand: A promising material for green solar cells

    Journal of Molecular Structure · 2021-12-01

    Intissar Hamdi, Noureddine Mhadhbi, Noureddine Issaoui, Malika El‐Ghozzi, A. Tozri, Houcine Naı̈li

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  4. Excitation dependent white and red-NIR emission of a Mn II -based complex

    CrystEngComm · 2022-01-01

    Wiem Jabeur, Rawia Msalmi, Marcus Korb, F. Hassen, Ahlem Guesmi, Ammar Houas, Naoufel Ben Hamadi, Houcine Naı̈li

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  5. Assembly of two new hybrid chloride materials with potential NLO properties: Structure elucidation, empirical and computational studies

    Journal of the Iranian Chemical Society · 2022-01-21

    Ikram Jomaa, Noureddine Issaoui, Thierry Roisnel, Houda Marouani

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  6. New Low-Dimensional Lead-Free Perovskite (2-AMP)2BiX7·H2O (X = Cl, Br) Crystals: Synthesis, Stability, and Nonlinear Optical Properties

    Inorganic Chemistry · 2022-09-12

    Defu Sun, Duanliang Wang, Hanzhang Chen, Ruoxian Hou, Yangyang Dang, Kui Wu, Jiyang Wang, Chuanying Shen

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  7. Removal of ultralow concentration arsenic by high-temperature synthesized tetragonal CuFe2O4 with surficial grafting hydroxyl

    Chemical Engineering Journal · 2022-11-08

    Jiankang Tan, Weilun Qian, Huibin Zhang, Huazhen Cao, Guoqu Zheng

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  8. Design, theoretical study, druggability, pharmacokinetics and properties evolution of a new organo-bromocadmate compound as prospective anticancer agent

    Journal of Molecular Structure · 2022-11-11

    Noureddine Mhadhbi, Souad Dgachi, Soufienne Belgacem, Ali Ben Ahmed, Natacha Henry, Thierry Loiseau, Samia Nasr, Riadh Badraoui, Houcine Naı̈li

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  9. Structure/function relationships of a new stannate (IV) complex based on 5,7-dichloro-8-hydroxyquinolinium, accomplished with DFT calculations

    Journal of Molecular Structure · 2022-12-18

    Ameni Sakka, Noureddine Mhadhbi, Besma Hamdi, Ali Ben Ahmed, A. Tozri, Samia Nasr, Fatma Aouaini, Houcine Naı̈li

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  10. RETRACTED: Solvent-solute polarity, electrophilic, steric effects, reactive sites, themodynamic quantities discussion and biological evaluation of lung cancer antiproliferative activities of spirobrassinin derivatives

    Journal of Molecular Liquids · 2023-06-21

    Sheryl Cherian Parakkal, S. Muthu, Riya Datta, Shine Kadaikunnan, Ghulam Abbas

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  11. Investigation on structural, thermal, electrical and optical properties of a new (OIH) material based Co(II)

    Journal of Molecular Structure · 2023-07-01

    Amal Tounsi, M. Gargouri, Abdelhamid Ben Salah, Besma Hamdi

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  12. Synthesis, Structural, Spectroscopic, Topological, NLO and Docking Analysis on 4-Ethoxy-3-Methoxy Benzaldehyde: experimental and Theoretical Approach

    Polycyclic aromatic compounds · 2023-07-30

    Jini Pramila M, D. Arul Dhas, Isaac Hubert Joe, Sreedharan Balachandran

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  13. Spectroscopic, Topological and NLO Activity of N N’ Diphenyl Thiourea Acetone Monosolvate: Experimental and Theoretical Approach

    Polycyclic aromatic compounds · 2023-09-06

    Jini Pramila M, D. Arul Dhas, Isaac Hubert Joe, Sreedharan Balachandran

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  14. Solvent-solute interaction, thermodynamic behaviour, structural, chemical and anti-cancer biological properties of 3(2H)-furanone derivatives

    Journal of Molecular Liquids · 2023-09-26

    Sheryl Cherian Parakkal, Riya Datta, S. Muthu, Naiyf S. H. A. Alharbi, Ghulam Abbas

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  15. Computational studies into the chemical nature, thermal behaviour, solvent role, reactivity and biological evaluation of Rigidin E – A marine alkaloid with potent liver cancer inhibition

    Journal of Molecular Liquids · 2023-11-05

    Wafia Hammad, Sheryl Cherian Parakkal, Riya Datta, S. Muthu, Naiyf S. H. A. Alharbi, Ghulam Abbas

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  16. Design of a new palladium( ii ) halide complex as a bio-active material: synthesis, physico-chemical studies, DFT-computations and evaluation of anti-inflammatory, antioxidant and anti-gastric damage activities

    RSC Advances · 2024-01-01

    Sarra Bougossa, Noureddine Mhadhbi, Ali Ben Ahmed, Mohamed Hamdi, Kais Elghniji, Erwann Jeanneau B, Khaled Hamden, Abderrazek Oueslati, Houcine Naı̈li

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  17. Quantum computational, charge density, optical, molecular reactivity and thermodynamical analysis of Di-Halogen substituted nicotinic acid derivatives

    Computational and Theoretical Chemistry · 2024-05-09

    R Sravanthi, S. Mahalakshmi, Abdul Kadar Avuliya Saral, Naiyf S. H. A. Alharbi, S. Muthu

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  18. Structural and Optical Characterization of a New Tetra- and Hexa-Coordinated Cd-Based Hybrid Compound with White Light Emission

    Crystals · 2024-05-12

    Imen Sayer, Rawia Msalmi, Edoardo Mosconi, Ahlem Guesmi, Ammar Houas, Naoufel Ben Hamadi, Houcine Naı̈li

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  19. Insights into Co (II)-based hybrid materials for photocatalytic and antioxidant applications

    Journal of Molecular Structure · 2024-07-26

    Mahdi Gassara, Khouloud Hchicha, Noureddine Mhadhbi, Ali Ben Ahmed, Ahlem Guesmi, Fehmi Boufahja, Lotfi Khezami, Naoufel Ben Hamadi, Houcine Naı̈li

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  20. Synthesis, structural characterization and DFT study of a cobalt(III)/cobalt(II) complex derived from N,O donor reduced Schiff base ligand

    Inorganica Chimica Acta · 2025-03-04

    Rabi Sankar Sarkar, Snehasis Banerjee, Shouvik Chattopadhyay

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  21. X-ray Studies, Spectroscopic Characterization, and Biological Evaluation of Mixed-Valance Co(II)/(III) and µ-Chloride Bridged Mn(II) Carboxamide Complexes: Antioxidant and Antibacterial Properties

    Journal of Inorganic and Organometallic Polymers and Materials · 2025-09-01

    Fatemeh Soleimani Ravandi, Robabeh Alizadeh, Vahid Amani, Raziyeh Arabahmadi

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  22. Synthesis, Characterization, and Biological Studies of a New Schiff Base Ligand Derived from 5-Amino-2-hydroxybenzoic Acid and Benzaldehyde and its Metal Complexes.

    Zanin Journal of Science and Engineering · 2025-09-29

    Karwan N. Abdulah, Eman Alsalihi, Jamil A. Juma

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  23. Structural, spectroscopic, thermal and biological insights into a new cadmium halide-based organic–inorganic hybrid material

    RSC Advances · 2026-01-01

    Intissar Tababi, Hiba Khlifi, Marwa Chihaoui, Houda Lazreg Aref, Noureddine Mhadhbi, Ahlem Guesmi, Lotfi Khezami, Naoufel Ben Hamadi, Hajir Wahbi, Houcine Naı̈li

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  24. Dual palladium sites and pseudo-gap optics in a 1D hybrid perovskite for sensing applications

    Inorganic Chemistry Communications · 2026-09-06

    Imen Khannoussi, Jassem Wannassi, Noureddine Mhadhbi, Abdellah Tahiri, Ahlem Guesmi, Wesam Abd El‐Fattah, Naoufel Ben Hamadi, Hajir Wahbi, Houcine Barhoumi, Houcine Naı̈li

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