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RESEARCH PAPER · CrystEngComm · 2021

A theoretical insight into the formation of chalcogen bonding (ChB) interactions involving coordinated DMSO molecules as σ-hole donors and benzoate groups as σ-hole acceptors in a dinuclear copper( ii ) complex

Snehasish Thakur, Rosa M. Gomila, Antonio Frontera, Shouvik Chattopadhyay

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A theoretical insight into the formation of chalcogen bonding (ChB) interactions involving coordinated DMSO molecules as σ-hole donors and benzoate groups as σ-hole acceptors in a dinuclear copper( ii ) complexOriginalA Simplistic Approach for Preparation of Alkylidenemalononitrile Derivatives: Characterization, In silico Studies, Quantum Chemical Evaluation, Molecular Docking, and In vitro Biological Activity Evaluation18Participation of S and Se in hydrogen and chalcogen bonds55An insight into the supramolecular interactions in two linear polyvanadates3Se⋅⋅⋅O/S and S⋅⋅⋅O Chalcogen Bonds in Small Molecules and Proteins: A Combined CSD and PDB Study49Synthesis, spectroscopic findings and crystal engineering of Pb( ii )–Salen coordination polymers, and supramolecular architectures engineered by σ-hole/spodium/tetrel bonds: a combined experimental and theoretical investigation51Recent advances on the tetrel bonding interaction in the solid state structure of lead complexes with hydrazine based bis-pyridine Schiff base ligands27Principles Guiding the Square Bonding Motif Containing a Pair of Chalcogen Bonds between Chalcogenadiazoles25Importance of R-CH3⋯O tetrel bonding and vinyl⋯aryl stacking interactions in stabilizing the crystal packing of 2’,4’-dihydroxy-3’-methoxychalcone: Exploration of antileishmanial activity and molecular docking studies8Unravelling the Synthetic Mimic, Spectroscopic Insights, and Supramolecular Crystal Engineering of an Innovative Heteronuclear Pb(II)-Salen Cocrystal: An Integrated DFT, QTAIM/NCI Plot, NLO, Molecular Docking/PLIP, and Antibacterial Appraisal48Crystal engineering of Pb(II)-salen coordination polymer enforced for the selective fluorescence NACs sensing activity in a dispersed aqueous medium: A combined experimental and theoretical DFT monologue49An insight into the hydrogen bonding, halogen bonding and chalcogen bonding interactions in manganese( iii ) complexes with N 2 O 2 donor salicylidine Schiff base ligands21Synthesis, structural characterization, and theoretical analysis of novel zinc( ii ) schiff base complexes with halogen and hydrogen bonding interactions17Designed synthesis and DFT study of R22(8) motifs in the solid state structures of trinuclear cobalt complexes of N2O2 donor Schiff bases using dicarboxylic acids as bridging co-ligands5An overview on the synthesis, structure, and application of vanadyl complexes with hydrazonic acid ligands based on salicylaldehyde or its derivatives4On the Existence of Matere Bonds in Pentacoordinated Manganese Complexes: A Combined Experimental and Theoretical Investigation10An experimental and theoretical study of coinage bond interaction in a copper(II)/potassium(I) Schiff base complex9A theoretical insight on the halogen and hydrogen bonding interactions in the solid state structures of mononuclear zinc(II) complexes with salen type Schiff base ligands5Deciphering weak hydrogen bonds, halogen bonds, and π-stacking interactions in two fluorinated 2′-hydroxychalcones: insights from experimental and theoretical analysis3Computational approaches to the study of chalcogen bonding interactions8

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19 direct citing papers saved.

  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. Participation of S and Se in hydrogen and chalcogen bonds

    CrystEngComm · 2021-01-01

    Steve Scheiner

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  3. An insight into the supramolecular interactions in two linear polyvanadates

    Journal of Molecular Structure · 2021-05-19

    Snehasish Thakur, Antonio Frontera, Shouvik Chattopadhyay

    Read original paper ↗ ·

  4. Se⋅⋅⋅O/S and S⋅⋅⋅O Chalcogen Bonds in Small Molecules and Proteins: A Combined CSD and PDB Study

    ChemBioChem · 2021-10-25

    Himansu S. Biswal, Akshay Kumar Sahu, Bartomeu Galmés, Antonio Frontera, Deepak Chopra

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  5. Synthesis, spectroscopic findings and crystal engineering of Pb( ii )–Salen coordination polymers, and supramolecular architectures engineered by σ-hole/spodium/tetrel bonds: a combined experimental and theoretical investigation

    RSC Advances · 2022-01-01

    Dhrubajyoti Majumdar, Antonio Frontera, Rosa M. Gomila, Sourav Das, Kalipada Bankura

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  6. Recent advances on the tetrel bonding interaction in the solid state structure of lead complexes with hydrazine based bis-pyridine Schiff base ligands

    Polyhedron · 2022-01-12

    Abhisek Banerjee, Deep Chowdhury, Rosa M. Gomila, Shouvik Chattopadhyay

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  7. Principles Guiding the Square Bonding Motif Containing a Pair of Chalcogen Bonds between Chalcogenadiazoles

    The Journal of Physical Chemistry A · 2022-02-10

    Steve Scheiner

    Read original paper ↗ ·

  8. Importance of R-CH3⋯O tetrel bonding and vinyl⋯aryl stacking interactions in stabilizing the crystal packing of 2’,4’-dihydroxy-3’-methoxychalcone: Exploration of antileishmanial activity and molecular docking studies

    Journal of Molecular Structure · 2022-05-23

    Eliana Rita Solórzano, Paolo Pastore, Alessandro Dolmella, Silvia I. Cazorla, María Lucrecia Arias Cassará, Sankaran Venkatachalam Sankaran, Subbiah Thamotharan, Diego Mauricio Gil

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  9. Unravelling the Synthetic Mimic, Spectroscopic Insights, and Supramolecular Crystal Engineering of an Innovative Heteronuclear Pb(II)-Salen Cocrystal: An Integrated DFT, QTAIM/NCI Plot, NLO, Molecular Docking/PLIP, and Antibacterial Appraisal

    Journal of Inorganic and Organometallic Polymers and Materials · 2022-07-26

    Dhrubajyoti Majumdar, Jessica Elizabeth Philip, Burak Tüzün, Antonio Frontera, Rosa M. Gomila, Sourav Roy, Kalipada Bankura

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  10. Crystal engineering of Pb(II)-salen coordination polymer enforced for the selective fluorescence NACs sensing activity in a dispersed aqueous medium: A combined experimental and theoretical DFT monologue

    Journal of Molecular Structure · 2022-12-02

    Dhrubajyoti Majumdar, Sourav Roy, Antonio Frontera, Rosa M. Gomila, Tapan K. Pal

    Read original paper ↗ ·

  11. An insight into the hydrogen bonding, halogen bonding and chalcogen bonding interactions in manganese( iii ) complexes with N 2 O 2 donor salicylidine Schiff base ligands

    RSC Advances · 2023-01-01

    Mridul Karmakar, Wahedur Sk, Rosa M. Gomila, Michael G. B. Drew, Antonio Frontera, Shouvik Chattopadhyay

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  12. Synthesis, structural characterization, and theoretical analysis of novel zinc( ii ) schiff base complexes with halogen and hydrogen bonding interactions

    RSC Advances · 2024-01-01

    Md. Gishan, Puspendu Middya, Michael G. B. Drew, Antonio Frontera, Shouvik Chattopadhyay

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  13. Designed synthesis and DFT study of R22(8) motifs in the solid state structures of trinuclear cobalt complexes of N2O2 donor Schiff bases using dicarboxylic acids as bridging co-ligands

    Polyhedron · 2024-01-11

    Sovana Maity, Sudip Bhunia, Michael G. B. Drew, Antonio Frontera, Shouvik Chattopadhyay

    Read original paper ↗ ·

  14. An overview on the synthesis, structure, and application of vanadyl complexes with hydrazonic acid ligands based on salicylaldehyde or its derivatives

    Inorganica Chimica Acta · 2024-02-10

    Mridul Karmakar, Pranab Kumar, Sk. Jiyaur Rahaman, Shouvik Chattopadhyay

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  15. On the Existence of Matere Bonds in Pentacoordinated Manganese Complexes: A Combined Experimental and Theoretical Investigation

    Crystal Growth & Design · 2024-06-26

    Mridul Karmakar, Rosa M. Gomila, Antonio Frontera, Shouvik Chattopadhyay

    Read original paper ↗ ·

  16. An experimental and theoretical study of coinage bond interaction in a copper(II)/potassium(I) Schiff base complex

    Inorganica Chimica Acta · 2024-08-23

    Sourav Roy, Biplab Halder, Rosa M. Gomila, Antonio Frontera, Michael G. B. Drew, Shouvik Chattopadhyay

    Read original paper ↗ ·

  17. A theoretical insight on the halogen and hydrogen bonding interactions in the solid state structures of mononuclear zinc(II) complexes with salen type Schiff base ligands

    Polyhedron · 2024-12-11

    Puspendu Middya, Rosa M. Gomila, Antonio Frontera, Shouvik Chattopadhyay

    Read original paper ↗ ·

  18. Deciphering weak hydrogen bonds, halogen bonds, and π-stacking interactions in two fluorinated 2′-hydroxychalcones: insights from experimental and theoretical analysis

    CrystEngComm · 2025-01-01

    María Lucrecia Arias Cassará, Hiram Pérez, Lilian Davies, Gustavo Alberto Echeverría, Oscar Enrique Piro, Diego Mauricio Gil

    Read original paper ↗ ·

  19. Computational approaches to the study of chalcogen bonding interactions

    Coordination Chemistry Reviews · 2026-02-06

    Massimiliano Arca, Vito Lippolis, M. Carla Aragoni, Enrico Podda, Gianluca Ciancaleoni, Anna Pintus

    Read original paper ↗ ·
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