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Research Article

Fluorescent Azomethine by the Condensation of Sulfadiazine and 4-Chlorobenzaldehyde in Solution: Synthesis, Characterization, Solvent Interactions, Electronic Structure, and Biological Activity Prediction

ORCID Icon, ORCID Icon, , & ORCID Icon
Pages 2332-2353 | Received 28 Dec 2022, Accepted 16 May 2023, Published online: 29 May 2023

References

  • A.M. Mansour, “Selective Coordination Ability of Sulfamethazine Schiff-Base Ligand towards Copper(II): Molecular Structures, Spectral and SAR Study,” Spectrochimica Acta. Part A, Molecular and Biomolecular Spectroscopy 123 (2014): 257–66. doi:10.1016/j.saa.2013.12.066
  • O.A. Abu Ali, N. Elangovan, S.F. Mahmoud, S.M. El Bahy, Z.M El Bahy, and R. Thomas, “Synthesis, Structural Features, Excited State Properties, Flouresence Spectra, and Quantum Chemical Modeling of (E)-2-Hydroxy-5-(((4-Sulfamoylphenyl)Imino) Methyl)Benzoic Acid,” Journal of Molecular Liquids 360 (2022): 119557. doi:10.1016/j.molliq.2022.119557
  • D.P. Patel, S.P. Prajapati, and P.S. Patel, “Gravimetric Determination of the Cu (II) with Schiff Bases Derived from Sulfa Drugs and 2-Hydroxy, 1-Napthaldehyde/Benzoyl Acetone,” Research Journal of Pharmaceutical, Biological, and Chemical Sciences 3 (2012): 1–9.
  • K. Krishnankutty, M.B. Ummathur, and P. Sayudevi, “Metal Complexes of Schiff Bases Derived from Dicinnamoylmethane and Aromatic Amines,” The Journal of Argentine Chemical Society 96, no. 1 (2008): 13–21.
  • O.A.A. Ali, N. Elangovan, S.F. Mahmoud, M.S. El-Gendey, H. Elbasheer, S.M. El-Bahy, and R. Thomas, “Synthesis, Characterization, Vibrational Analysis and Computational Studies of a New Schiff Base from Pentafluoro Benzaldehyde and Sulfanilamide,” Journal of Molecular Structure 1265 (2022): 133445. doi:10.1016/j.molstruc.2022.133445
  • S.N. Pandeya, D. Sriram, G. Nath, and E. De Clercq, “Synthesis and Antimicrobial Activity of Schiff and Mannich Bases of Isatin and Its Derivatives with Pyrimidine,” Farmaco 54, no. 9 (1999): 624–8. doi:10.1016/S0014-827X(99)00075-0
  • N. Elangovan, B. Gangadharappa, R. Thomas, and A. Irfan, “Synthesis of a Versatile Schiff Base 4-((2-Hydroxy-3, 5-Diiodobenzylidene) Amino) Benzenesulfonamide from 3,5-Diiodosalicylaldehyde and Sulfanilamide, Structure, Electronic Properties, Biological Activity Prediction and Experimental Antimicrobial Property,” Journal of Molecular Structure 1250 (2022): 131700. doi:10.1016/j.molstruc.2021.131700
  • M.M.H. Khalil, E.H. Ismail, G.G. Mohamed, E.M. Zayed, and A. Badr, “Synthesis and Characterization of a Novel Schiff Base Metal Complexes and Their Application in Determination of Iron in Different Types of Natural Water,” Open Journal of Inorganic Chemistry 2, no. 2 (2012): 13–21. doi:10.4236/ojic.2012.22003
  • U.K. Singh, S.N. Pandeya, S.K. Sethia, M. Pandey, A. Singh, A. Garg, and P. Kumar, “Synthesis and Biological Evaluation of Some Sulfonamide Schiff’s Bases,” International Journal of Pharmaceutical Sciences and Drug Research 2 (2010): 216–8.
  • N. Elangovan, R. Sangeetha, S. Sowrirajan, S. Sarala, and S. Muthu, “Computational Investigation on Structural and Reactive Sites (HOMO-LUMO, MEP, NBO, NPA, ELF, LOL, RDG) Identification, Pharmacokinetic (ADME) Properties and Molecular Docking Investigation of (E)-4-((4-Chlorobenzylidene) Amino) Benzene Sulfonamide Compound,” Analytical Chemistry Letters 12, no. 1 (2022): 58–76. doi:10.1080/22297928.2021.1933588
  • N. Elangovan, and S. Sowrirajan, “Synthesis, Single Crystal (XRD), Hirshfeld Surface Analysis, Computational Study (DFT) and Molecular Docking Studies of (E)-4-((2-Hydroxy-3,5-Diiodobenzylidene)Amino)-N-(Pyrimidine)-2-yl) Benzenesulfonamide,” Heliyon 7, no. 8 (2021): e07724. doi:10.1016/j.heliyon.2021.e07724
  • N. Elangovan, S. Sowrirajan, K.P. Manoj, and A.M. Kumar, “Synthesis, Structural Investigation, Computational Study, Antimicrobial Activity and Molecular Docking Studies of Novel Synthesized (E)-4-((Pyridine-4-Ylmethylene)Amino)-N-(Pyrimidin-2-yl)Benzenesulfonamide from Pyridine-4-Carboxaldehyde and Sulfadiazine,” Journal of Molecular Structure 1241 (2021): 130544. doi:10.1016/j.molstruc.2021.130544
  • S. Armaković and S.J. Armaković, “Atomistica.online – Web Application for Generating Input Files for ORCA Molecular Modelling Package Made with the Anvil Platform,” Molecular Simulation 49, no. 1 (2023): 117–23. doi:10.1080/08927022.2022.2126865
  • M.J. Frisch, G.W. Trucks, H.B. Schlegel, G.E. Scuseria, M.A. Robb, J.R. Cheeseman, G. Scalmani, V. Barone, B. Mennucci, G.A. Petersson, et al. Gaussian 09, Revision B.01 (Wallingford CT: Gaussian, Inc., 2009), 1–20.
  • N. Elangovan, R. Thomas, and S. Sowrirajan, “Synthesis of Schiff Base (E)-4-((2-Hydroxy-3,5-Diiodobenzylidene)Amino)-N-Thiazole-2-yl)Benzenesulfonamide with Antimicrobial Potential, Structural Features, Experimental Biological Screening and Quantum Mechanical Studies,” Journal of Molecular Structure 1250 (2022): 131762. doi:10.1016/j.molstruc.2021.131762
  • F. Neese, “The ORCA Program System,” WIREs Computational Molecular Science 2, no. 1 (2012): 73–8. doi:10.1002/wcms.81
  • F. Neese, F. Wennmohs, U. Becker, and C. Riplinger, “The ORCA Quantum Chemistry Program Package,” The Journal of Chemical Physics 152, no. 22 (2020): 224108. doi:10.1063/5.0004608
  • T. Lu and F. Chen, “Multiwfn: A Multifunctional Wavefunction Analyzer,” Journal of Computational Chemistry 33, no. 5 (2012): 580–92. doi:10.1002/jcc.22885
  • N. Elangovan, R. Thomas, S. Sowrirajan, and A. Irfan, “Synthesis, Spectral and Quantum Mechanical Studies and Molecular Docking Studies of Schiff Base (E)2-Hydroxy-5-(((4-(N-Pyrimidin-2-yl)Sulfamoyl)Phenyl)Imino)Methyl Benzoic Acid from 5-Formyl Salicylic Acid and Sulfadiazine,” Journal of the Indian Chemical Society 98, no. 10 (2021): 100144. doi:10.1016/j.jics.2021.100144
  • E.B. Elkaeed, E.U. Mughal, S. Kausar, H.A. Al-Ghulikah, N. Naeem, A.A. Altaf, and A. Sadiq, “Theoretical Vibrational Spectroscopy (FT-IR), PED and DFT Calculations of Chromones and Thiochromones,” Journal of Molecular Structure 1270 (2022): 133972. doi:10.1016/j.molstruc.2022.133972
  • T.S. Ganesan, N. Elangovan, V. Vanmathi, S. Sowrirajan, S. Chandrasekar, K.R.S. Murthy, and R. Thomas, “Spectroscopic, Computational(DFT), Quantum Mechanical Studies and Protein-Ligand Interaction of Schiff Base 6,6-((1,2-Phenylenebis(Azaneylylidene))Bis(Methaneylylidene))Bis(2-Methoxyphenol) from o-Phenylenediamine and 3-Methoxysalicylaldehyde,” Journal of the Indian Chemical Society 99, no. 10 (2022): 100713. doi:10.1016/j.jics.2022.100713
  • A. Altun, R. Izsák, and G. Bistoni, “Local Energy Decomposition of Coupled-Cluster Interaction Energies: Interpretation, Benchmarks, and Comparison with Symmetry-Adapted Perturbation Theory,” International Journal of Quantum Chemistry 121, no. 3 (2021): e26339. doi:10.1002/qua.26339
  • A. Altun, F. Neese, and G. Bistoni, “Local Energy Decomposition Analysis of Hydrogen-Bonded Dimers within a Domain-Based Pair Natural Orbital Coupled Cluster Study,” Beilstein Journal of Organic Chemistry 14 (2018): 919–29. doi:10.3762/BJOC.14.79
  • A. Jaworski and N. Hedin, “Local Energy Decomposition Analysis and Molecular Properties of Encapsulated Methane in Fullerene (CH4@C60),” Physical Chemistry Chemical Physics 23, no. 38 (2021): 21554–67. doi:10.1039/d1cp02333k
  • W.B. Schneider, G. Bistoni, M. Sparta, M. Saitow, C. Riplinger, A.A. Auer, and F. Neese, “Decomposition of Intermolecular Interaction Energies within the Local Pair Natural Orbital Coupled Cluster Framework,” Journal of Chemical Theory and Computation 12, no. 10 (2016): 4778–92. doi:10.1021/acs.jctc.6b00523
  • M.J. Alam and S. Ahmad, “FTIR, FT-Raman, UV–Visible Spectra and Quantum Chemical Calculations of Allantoin Molecule and Its Hydrogen Bonded Dimers,” Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy 136 (2015): 961–78. doi:10.1016/j.saa.2014.09.119
  • M.J. Alam, A.U. Khan, M. Alam, and S. Ahmad, “Spectroscopic (FTIR, FT-Raman, 1H NMR and UV–Vis) and DFT/TD-DFT Studies on Cholestenol [4,6-b,c]-2′,5′-Dihydro-1′,5′-Benzothiazepine,” Journal of Molecular Structure 1178 (2019): 570–82. doi:10.1016/j.molstruc.2018.10.063
  • R.M. Alves, F.S. Rodembusch, C. Habis, and E.C. Moreira, “FT-Raman and FTIR Spectra of Photoactive Aminobenzazole Derivatives in the Solid State: A Combined Experimental and Theoretical Study,” Materials Chemistry and Physics 148, no. 3 (2014): 833–40. doi:10.1016/j.matchemphys.2014.08.058
  • B. Anita, V. Sampath, and R. Vanathi Vijayalakshmi, “FTIR, XRD, EDAX and Hardness Test – An Integrated Approach to Explore the Elemental Composition of Archaeological and Contemporary Ceramic Samples,” Materials Today: Proceedings 68, no. 3 (2022): 628–635. doi:10.1016/j.matpr.2022.09.291
  • V. Arjunan, P. Ravindran, T. Rani, and S. Mohan, “FTIR, FT-Raman, FT-NMR, ab Initio and DFT Electronic Structure Investigation on 8-Chloroquinoline and 8-Nitroquinoline,” Journal of Molecular Structure 988, no. 1–3 (2011): 91–101. doi:10.1016/j.molstruc.2010.12.032
  • S. Sethuvasan, P. Sugumar, M.N. Ponnuswamy, and S. Ponnuswamy, “Synthesis, Spectral Characterization, Solution and Solid-State Conformations of N-Nitroso-2,7-Diaryl-1,4-Diazepan-5-Ones by NMR and XRD Studies,” Journal of Molecular Structure 1223 (2021): 129002. doi:10.1016/j.molstruc.2020.129002
  • J. Geethapriya, A. Shanthidevi, M. Arivazhagan, N. Elangovan, and R. Thomas, “Synthesis, Structural, DFT, Quantum Chemical Modeling and Molecular Docking Studies of (E)-4-(((5-Methylfuran-2-yl)Methylene)Amino) Benzenesulfonamide from 5-Methyl-2-Furaldehyde and Sulfanilamide,” Journal of the Indian Chemical Society 99, no. 4 (2022): 100418. doi:10.1016/j.jics.2022.100418
  • K. Ramaiah, K. Srishailam, K. Laxma Reddy, B.V. Reddy, and G. Ramana Rao, “Synthesis, Crystal and Molecular Structure, and Characterization of 2-((2-Aminopyridin-3-yl)Methylene)-N-Ethylhydrazinecarbothioamide Using Spectroscopic (1H and 13C NMR, FT-IR, FT-Raman, UV–Vis) and DFT Methods and Evaluation of Its Anticancer Activity,” Journal of Molecular Structure 1184 (2019): 405–17. doi:10.1016/j.molstruc.2019.02.060
  • A.D. Oswald, A. El Bouhali, E. Chefdeville, P.-A.R. Breuil, H. Olivier-Bourbigou, J. Thuilliez, F. Vaultier, A. De Mallmann, M. Taoufik, L. Perrin, et al. “Monocationic Bis-Alkyl and Bis-Allyl Yttrium Complexes: Synthesis, 89Y NMR Characterization, Ethylene or Isoprene Polymerization, and Modeling,” Organometallics 40, no. 2 (2021): 218–30. doi:10.1021/acs.organomet.0c00709
  • J. Geethapriya, A. Shanthidevi, M. Arivazhagan, N. Elangovan, S. Sowrirajan, S. Manivel, and R. Thomas, “Synthesis, Characterization, Computational, Excited State Properties, Wave Function and Molecular Docking Studies of (E)-1-(Perfluorophenyl)-N-(p-Tolyl) Methanimine,” Journal of the Indian Chemical Society 99, no. 12 (2022): 100785. doi:10.1016/j.jics.2022.100785
  • A.V. Kletskov, A.D. Zatykina, M.V. Grudova, A.A. Sinelshchikova, M.S. Grigoriev, V.P. Zaytsev, D.M. Gil, R.A. Novikov, F.I. Zubkov, and A. Frontera, “Raise the Anchor! Synthesis, X-Ray and NMR Characterization of 1,3,5-Triazinanes with an Axial Tert-Butyl group11Electronic Supplementary Information (ESI) Available. CCDC 1969751–1969758. For ESI and Crystallographic Data in CIF or Other Electronic Forma,” Organic & Biomolecular Chemistry 18, no. 41 (2020): 8386–94. doi:10.1039/d0ob01201g
  • F.M. Manhas, A. Fatima, I. Verma, N. Siddiqui, S. Muthu, H.S. AlSalem, S. Savita, M. Singh, and S. Javed, “Quantum Computational, Spectroscopic (FT-IR, NMR and UV–Vis) Profiling, Hirshfeld Surface, Molecular Docking and Dynamics Simulation Studies on Pyridine-2,6-Dicarbonyl Dichloride,” Journal of Molecular Structure 1265 (2022): 133374. doi:10.1016/j.molstruc.2022.133374
  • A. Kumer, and M.W. Khan, “Synthesis, Characterization, Antimicrobial Activity and Computational Exploration of Ortho Toludinium Carboxylate Ionic Liquids,” Journal of Molecular Structure 1245 (2021): 131087. doi:10.1016/j.molstruc.2021.131087
  • A.M. John, R. Thomas, S.P. Balakrishnan, N. Al-Zaqri, A. Alsalme, and I. Warad, “Diazo-Pyrazole Analogues as Photosensitizers in Dye Sensitised Solar Cells: Tuning for a Better Photovoltaic Efficiency Using a New Modelling Strategy Using Experimental and Computational Data,” Zeitschrift für Physikalische Chemie 235, no. 9 (2021): 1227–45. doi:10.1515/zpch-2020-1722
  • S. Khan, S. Hussain, A. Wong, M.V. Foguel, L. Moreira Gonçalves, M.I. Pividori Gurgo, and M. del Pilar Taboada Sotomayor, “Synthesis and Characterization of Magnetic-Molecularly Imprinted Polymers for the HPLC-UV Analysis of Ametryn,” Reactive and Functional Polymers 122 (2018): 175–82. doi:10.1016/j.reactfunctpolym.2017.11.002
  • A.M. John, J. Jose, R. Thomas, K.J. Thomas, and S.P. Balakrishnan, “Spectroscopic and TDDFT Investigation of Highly Selective Fluoride Sensors by Substituted Acyl Hydrazones,” Spectrochimica Acta. Part A, Molecular and Biomolecular Spectroscopy 236 (2020): 118329. doi:10.1016/j.saa.2020.118329
  • R.J. Micikas, A. Acharyya, A.B. Smith, and F. Gai, “Synthesis and Characterization of the Fluorescence Utility of Two Visible-Light-Absorbing Tryptophan Derivatives,” Chemical Physics Letters 795 (2022): 139553. doi:10.1016/j.cplett.2022.139553
  • D. Majumdar, D. Das, S.S. Sreejith, S. Nag, S. Dey, S. Mondal, K. Bankura, and D. Mishra, “Synthesis, Characterizations and Single Crystal Structure of Di-Nuclear Azido-Bridged Cd(II) Coordination Polymer with Schiff Base Precursor (H2LpentOMe): DFT, Fluorescence, Solvatochromism and In Vitro Antimicrobial Assay,” Inorganica Chimica Acta 496 (2019): 119069. doi:10.1016/j.ica.2019.119069
  • D. Liu, R. Lin, H. Wu, J. Ji, D. Wang, Z. Xue, S. Feng, and X. Chen, “Green Synthesis, Characterization of Procyanidin-Mediated Gold Nanoparticles and Its Application in Fluorescence Detection of Prazosin,” Microchemical Journal 173 (2022): 107045. doi:10.1016/j.microc.2021.107045
  • S. Janeoo, Reenu, A. Saroa, R. Kumar, and H. Kaur, “Computational Investigation of Bioactive 2,3-Diaryl Quinolines Using DFT Method: FT-IR, NMR Spectra, NBO, NLO, HOMO-LUMO Transitions, and Quantum-Chemical Properties,” Journal of Molecular Structure 1253 (2022): 132285. doi:10.1016/j.molstruc.2021.132285
  • A. Latha, N. Elangovan, K.P. Manoj, M. Keerthi, K. Balasubramani, S. Sowrirajan, S. Chandrasekar, and R. Thomas, “Synthesis, XRD, Spectral, Structural, Quantum Mechanical and Anticancer Studies of di(p-Chlorobenzyl) (Dibromo) (1,10-Phenanthroline) Tin (IV) Complex,” Journal of the Indian Chemical Society 99, no. 7 (2022): 100540. doi:10.1016/j.jics.2022.100540
  • Z. Ullah, and R. Thomas, “Markovnikov versus anti-Markovnikov Addition and C–H Activation: Pd–Cu Synergistic Catalysis,” Applied Organometallic Chemistry 35, no. 1 (2021). doi:10.1002/aoc.6077
  • Z. Ullah, F. Sattar, H.J. Kim, S. Jang, Y.S. Mary, X. Zhan, and H.W. Kwon, “Computational Study of Pd–Cd Bimetallic Crystals: Spectroscopic Properties, Hirshfeld Surface Analysis, Non-covalent Interaction, and Sensor Activity,” Journal of Molecular Liquids 365 (2022): 120111. doi:10.1016/j.molliq.2022.120111
  • Z. Ullah, F. Sattar, H. Jee Kim, S. Jang, Y. Sheena Mary, X. Zhan, and H. Wook Kwon, “Computational Study of Toxic Gas Removal,” Journal of Molecular Liquids 365 (2022): 120213. doi:10.1016/j.molliq.2022.120213
  • Z. Ullah, X. Zhan, S. Jang, H. Jee Kim, Y. Sheena Mary, J.S. Al-Otaibi, and H. Wook Kwon, “Adsorption of Diospyrin on the Surface of CC/AlN/AlP/GaN Nanotubes: A DFT Investigation,” Journal of Molecular Liquids 360 (2022): 119472. doi:10.1016/j.molliq.2022.119472
  • S. Armaković, S.J. Armaković, J.P. Šetrajčić, and V. Holodkov, “Aromaticity, Response, and Nonlinear Optical Properties of Sumanene Modified with Boron and Nitrogen Atoms,” Journal of Molecular Modeling 20, no. 12 (2014): 2538. doi:10.1007/s00894-014-2538-4
  • G. Venkatesh, C. Kamal, P. Vennila, M. Govindaraju, Y.S. Mary, S. Armakovic, S.J. Armakovic, S. Kaya, and C.Y. Panicker, “Molecular Dynamic Simulations, ALIE Surface, Fukui Functions Geometrical, Molecular Docking and Vibrational Spectra Studies of Tetra Chloro p and m-Xylene,” Journal of Molecular Structure 1171 (2018): 253–67. doi:10.1016/j.molstruc.2018.06.001
  • N.L. John, S. Abraham, J. George, P. Karuppasamy, M. Senthilpandian, P. Ramasamy, and G. Vinitha, “Synthesis, Structure, NBO, Hirshfeld Surface, NMR, HOMO-LUMO, UV, Photoluminescence, z Scan, Vibrational and Thermal Analysis of Piperazinedi-Ium Tetrakis (μ2‑Chloro)-Diaqua-Dichloro-Di-Cadmium Single Crystal,” Journal of Molecular Structure 1258 (2022): 132685. doi:10.1016/j.molstruc.2022.132685
  • Y. Gao, C. Sun, and T. Su, “Design of Highly Stable Thermally Activated Delayed Fluorescence Emitters via the Overlap Degree of HOMO-LUMO Distributions,” Journal of Molecular Structure 1272 (2023): 134213. doi:10.1016/j.molstruc.2022.134213
  • A. Priyadharshini and S. Kalainathan, “Synthesis, Crystal Growth and Characterization of Third Order NLO Active Single Crystal: 2-(4-Ethylbenzylidene) Malononitrile (EBM),” Journal of Physical Chemistry Solids 123 (2018): 59–69. doi:10.1016/j.jpcs.2018.07.011
  • S. Şahin and N. Dege, “Synthesis, Characterization, X-Ray, HOMO-LUMO, MEP, FT-IR, NLO, Hirshfeld Surface, ADMET, Boiled-Egg Model Properties and Molecular Docking Studies with Human Cyclophilin D (CypD) of a Schiff Base Compound: (E)-1-(5-Nitro-2-(Piperidin-1-yl)Phenyl)-N-(3-ni),” Polyhedron 205 (2021): 115320. doi:10.1016/j.poly.2021.115320
  • K. Sooryakala, S. Ramalingam, R. Maheswari, and R. Aarthi, “Synthesis Opto-Electronic Characterization and NLO Evaluation of 6-Methyl 5-Nitro Uracil Crystal Using XRD, Spectroscopic and Theoretical Tools,” Heliyon 6, no. 10 (2020): e05329. doi:10.1016/j.heliyon.2020.e05329
  • S. Sankarrajan, K. Sakthipandi, P. Manivasakan, K. Thyagarajan, and V. Rajendran, “On-Line Phase Transition in La1−x Srx MnO3 (0.28 ≤ x ≤ 0.36) Perovskites through Ultrasonic Studies,” Phase Transitions 84, no. 7 (2011): 657–72. doi:10.1080/01411594.2011.556915
  • B. Ghosh, N. Roy, D. Roy, S. Mandal, S. Ali, P. Bomzan, K. Roy, and M. Nath Roy, “An Extensive Investigation on Supramolecular Assembly of a Drug (MEP) with βCD for Innovative Applications,” Journal of Molecular Liquids 344 (2021): 117977. doi:10.1016/j.molliq.2021.117977
  • A. Latha, N. Elangovan, K.P. Manoj, V. Maheswari, V. Balachandran, K. Balasubramani, S. Sowrirajan, S. Chandrasekar, and R. Thomas, “Synthesis, Single Crystal (XRD), Spectral Characterization, Computational (DFT), Quantum Chemical Modelling and Anticancer Activity of di(p-Bromobenzyl) (Dibromo) (1,10-Phenanthroline) Tin (IV) Complex,” Journal of the Indian Chemical Society 99, no. 10 (2022): 100714. doi:10.1016/j.jics.2022.100714
  • M. Guin, S. Halder, S. Chatterjee, and S. Konar, “Synthesis, X-Ray Crystal Structure of Cu(II) 1D Coordination Polymer: In View of Hirshfeld Surface, FMO, Molecular Electrostatic Potential (MEP) and Natural Bond Orbital (NBO) Analyses,” Journal of Molecular Structure 1270 (2022): 133949. doi:10.1016/j.molstruc.2022.133949
  • P. Krishna Murthy, V. Suneetha, Stevan Armaković, Sanja J. Armaković, P.A. Suchetan, L. Giri, and R. Sreenivasa Rao, “Synthesis, Characterization and Computational Study of the Newly Synthetized Sulfonamide Molecule,” Journal of Molecular Structure 1153 (2018): 212–29. doi:10.1016/j.molstruc.2017.10.028
  • A. Ouaket, A. Chraka, I. Raissouni, M.A. El Amrani, M. Berrada, and N. Knouzi, “Synthesis, Spectroscopic (13C/1H-NMR, FT-IR) Investigations, Quantum Chemical Modelling (FMO, MEP, NBO Analysis), and Antioxidant Activity of the Bis-Benzimidazole Molecule,” Journal of Molecular Structure 1259 (2022): 132729. doi:10.1016/j.molstruc.2022.132729
  • E. Ahilandeswari, K. Sakthipandi, R. Rajesh Kanna, M. Hubálovská, and D. Vigneswaran, “Lanthanum Substitution Effect on the Structural, Optical, and Dielectrical Properties of Nanocrystalline BaFe2O4 Ferrites,” Physica B: Condensed Matter 635 (2022): 413849. doi:10.1016/j.physb.2022.413849
  • T. Pooventhiran, N. Al-Zaqri, A. Alsalme, U. Bhattacharyya, and R. Thomas, “Structural Aspects, Conformational Preference and Other Physico-Chemical Properties of Artesunate and the Formation of Self-Assembly with Graphene Quantum Dots: A First Principle Analysis and Surface Enhancement of Raman Activity Investigation,” Journal of Molecular Liquids 325 (2021): 114810. doi:10.1016/j.molliq.2020.114810
  • M. Aarjane, S. Slassi, A. Ghaleb, and A. Amine, “Synthesis, Spectroscopic Characterization (FT-IR, NMR) and DFT Computational Studies of New Isoxazoline Derived from Acridone,” Journal of Molecular Structure 1231 (2021): 129921. doi:10.1016/j.molstruc.2021.129921
  • C.A. Téllez Soto, A.C. Costa, J.M. Ramos, O. Versiane, G.F. Ondar, G.B. Ferreira, P.P. Fávero, J.L. Rangel, L. Raniero, G. Bueno Costa, et al. “Surface Enhanced Raman Scattering, Electronic Spectrum and Mulliken Charge Distribution in the Normal Modes of Bis(Diethyldithiocarbamate)Zinc(II) Complex,” Spectrochimica Acta. Part A, Molecular and Biomolecular Spectroscopy 110 (2013): 443–9. doi:10.1016/j.saa.2013.03.039
  • C.A. Téllez Soto, A.C. Costa, J.M. Ramos, L.S. Vieira, N.C.V. Rost, O. Versiane, J.L. Rangel, M.A. Mondragón, L. Raniero, and A.A. Martin, “Surface Enhanced Raman Scattering, Electronic Spectrum, Natural Bond Orbital, and Mulliken Charge Distribution in the Normal Modes of Diethyldithiocarbamate Copper (II) Complex, [Cu(DDTC)2],” Spectrochimica Acta. Part A, Molecular and Biomolecular Spectroscopy 116 (2013): 546–55. doi:10.1016/j.saa.2013.07.083
  • S. Manivel, B.S. Gangadharappa, N. Elangovan, R. Thomas, O.A. Abu Ali, and D.I. Saleh, “Schiff Base (Z)-4-((Furan-2-Ylmethylene)Amino) Benzenesulfonamide: Synthesis, Solvent Interactions through Hydrogen Bond, Structural and Spectral Properties, Quantum Chemical Modeling and Biological Studies,” Journal of Molecular Liquids 350 (2022): 118531. doi:10.1016/j.molliq.2022.118531
  • E.A. Soares, C. Téllez, S.A. Fortes, A. Coelho, O. Versiane, G.B. Ferreira, M.A. Mondragón, and C.A. Téllez, “Fourier Transform Infrared and Raman Spectra of the Complex Cation Diethyldithiocarbamate Cr(III) Di-Hydrate, [Cr(DDTC)2(OH2)2]+. UV-Vis Spectrum, DFT:B3LYP/6-311G(d, p) Structural Determination, Vibrational and Natural Bond Orbital Analysis,” Journal of Molecular Structure 1256 (2022): 132555. doi:10.1016/j.molstruc.2022.132555
  • K. Arulaabaranam, S. Muthu, G. Mani, and A.S. Ben Geoffrey, “Speculative Assessment, Molecular Composition, PDOS, Topology Exploration (ELF, LOL, RDG), Ligand-Protein Interactions, on 5-Bromo-3-Nitropyridine-2-Carbonitrile,” Heliyon 7, no. 5 (2021): e07061. doi:10.1016/j.heliyon.2021.e07061
  • A.S. Kazachenko, N. Issaoui, A. Sagaama, Y.N. Malyar, O. Al-Dossary, L.G. Bousiakou, A.S. Kazachenko, A.V. Miroshnokova, and Z. Xiang, “Hydrogen Bonds Interactions in Biuret-Water Clusters: FTIR, X-Ray Diffraction, AIM, DFT, RDG, ELF, NLO Analysis,” Journal of King Saud University-Science 34, no. 8 (2022): 102350. doi:10.1016/j.jksus.2022.102350
  • K.P. Manoj, N. Elangovan, and S. Chandrasekar, “Synthesis, XRD, Hirshfeld Surface Analysis, ESP, HOMO-LUMO, Quantum Chemical Modeling and Anticancer Activity of di(p-Methyl Benzyl)(Dibromo)(1,10-Phenanthroline) Tin(IV) Complex,” Inorganic Chemistry Communications 139 (2022): 109324. doi:10.1016/j.inoche.2022.109324
  • M.J. Pramila, D.A. Dhas, I.H. Joe, S. Balachandran, G. Vinitha, “Structural Insights, Spectral, Flourescence, Z-Scan, C–H…O/N–H…O Hydrogen Bonding and AIM, RDG, ELF, LOL, Fukui Analysis, NLO Activity of N-2(Methoxy Phenyl) Acetamide,” Journal of Molecular Structure 1272 (2023): 134140. doi:10.1016/j.molstruc.2022.134140
  • E. Ahilandeswari, R. Rajesh Kanna, and K. Sakthipandi, “Synthesis of Neodymium-Doped Barium Nanoferrite: Analysis of Structural, Optical, Morphological, and Magnetic Properties,” Physica B: Condensed Matter 599 (2020): 412425. doi:10.1016/j.physb.2020.412425
  • C. Bhaskar, N. Elangovan, S. Sowrirajan, S. Chandrasekar, O.A.A. Ali, S.F. Mahmoud, and R. Thomas, “Synthesis, XRD, Hirshfeld Surface Analysis, DFT Studies, Cytotoxicity and Anticancer Activity of Di (m-Chlorobenzyl)(Dichloro)(4,7-Diphenyl-1,10-Phenanthroline) Tin (IV) Complex,” Journal of Molecular Structure 1267 (2022): 133542. doi:10.1016/j.molstruc.2022.133542
  • S. SangeethaMargreat, S. Ramalingam, H.M. Al-Maqtari, J. Jamalis, S. Sebastian, S. Periandy, and S. Xavier, “Synthesis, Spectroscopic, Quantum Computation, Electronic, AIM, Wavefunction (ELF, LOL) and Molecular Docking Investigation on (E)-1-(2,5-Dichlorothiophen-3-yl)-3-(Thiophen-2-yl)-2-Propen-1-One,” Chemical Data Collections 33 (2021): 100701. doi:10.1016/j.cdc.2021.100701
  • R. Muthukumar, M. Karnan, N. Elangovan, M. Karunanidhi, V. Sankarapandian, and R. Thomas, “Synthesis, Spectral, Computational, Wavefunction and Molecular Docking Studies of 4-((Thiophene-2-Ylmethylene)Amino)Benzenesulfonamide from Sulfanilamide and Thiophene-2-Carbalaldehyde,” Journal of the Indian Chemical Society 99, no. 10 (2022): 100718. doi:10.1016/j.jics.2022.100718
  • S. Soumya, and I.H. Joe, “A Combined Experimental and Quantum Chemical Study on Molecular Structure, Spectroscopic Properties and Biological Activity of Anti-Inflammatory Glucocorticosteroid Drug, Dexamethasone,” Journal of Molecular Structure 1245 (2021): 130999. doi:10.1016/j.molstruc.2021.130999
  • R. Sukanya, D. Aruldhas, I. Hubert Joe, and S. Balachandran, “Spectroscopic and Quantum Chemical Computation on Molecular Structure, AIM, ELF, RDG, NCI, and NLO Activity of 4-VINYL Benzoic Acid: A DFT Approach,” Journal of Molecular Structure 1253 (2022): 132273. doi:10.1016/j.molstruc.2021.132273
  • C.D. Vincy, J.D.D. Tarika, X.D.D. Dexlin, A. Rathika, and T.J. Beaula, “Exploring the Antibacterial Activity of 1,2 Diaminoethane Hexanedionic Acid by Spectroscopic, Electronic, ELF, LOL, RDG Analysis and Molecular Docking Studies Using DFT Method,” Journal of Molecular Structure 1247 (2022): 131388. doi:10.1016/j.molstruc.2021.131388
  • R. Muthukumar, M. Karnan, N. Elangovan, M. Karunanidhi, Vidya Sankarapandian, and K. Venkateswaran, “Synthesis, Experimental Antimicrobial Activity, Theoretical Vibrational Analysis, Quantum Chemical Modeling and Molecular Docking Studies of (E)-4-(b Enzylideneamino) b Enzenesulfonamide,” Journal of Molecular Structure 1263 (2022): 133187. doi:10.1016/j.molstruc.2022.133187
  • R. Muthukumar, M. Karnan, N. Elangovan, M. Karunanidhi, and R. Thomas, “Synthesis, Spectral Analysis, Antibacterial Activity, Quantum Chemical Studies and Supporting Molecular Docking of Schiff Base (E)-4-((4-Bromobenzylidene) Amino)Benzenesulfonamide,” Journal of the Indian Chemical Society 99, no. 5 (2022): 100405. doi:10.1016/j.jics.2022.100405
  • S. Sowrirajan, N. Elangovan, G. Ajithkumar, and K.P. Manoj, “(E)-4-((4-Bromobenzylidene) Amino)-N-(Pyrimidin-2-yl) Benzenesulfonamide from 4-Bromobenzaldehyde and Sulfadiazine, Synthesis, Spectral (FTIR, UV–Vis), Computational (DFT, HOMO–LUMO, MEP, NBO, NPA, ELF, LOL, RDG) and Molecular Docking Studies,” Polycyclic Aromatic Compounds (2022): 1–16. doi:10.1080/10406638.2021.2006245
  • S. Sowrirajan, N. Elangovan, G. Ajithkumar, A. Sirajunnisa, B.R. Venkatraman, M.M. Ibrahim, G.A.M. Mersal, and R. Thomas, “Synthesis, Spectral, Structural Features, Electronic Properties, Biological Activities, Computational, Wave Function Properties, and Molecular Docking Studies of (E)-4-(((Pentafluorophenyl) Methylene) Amino)-N-(pyrimidin2-yl)Benzenesulfonamide,” Journal of Molecular Structure 1265 (2022): 133472. doi:10.1016/j.molstruc.2022.133472
  • G. Thilagavathi, A. Kanagavalli, R. Jayachitra, M. Padmavathy, N. Elangovan, and R. Thomas, “Synthesis, Structural, Computational, Electronic Spectra, Wave Function Properties and Molecular Docking Studies of (Z)-4-(((5-Methylfuran-2-yl)Methylene)Amino)-N-(Thiazol-2-yl)Benzenesulfonamide,” Journal of the Indian Chemical Society 99, no. 12 (2022): 100786. doi:10.1016/j.jics.2022.100786
  • K. Sakthipandi and V. Rajendran, “On-Line Phase Transitions of Bulk and Nanocrystalline La1−xPbxMnO3 (x = 0.3, 0.4, and 0.5) Perovskite Manganite Materials Using Ultrasonic Measurements,” Materials Chemistry and Physics 138, no. 2–3 (2013): 581–92. doi:10.1016/j.matchemphys.2012.12.023
  • S.D. Amalraj, S.C. Palapetta, and G. Harichandran, “A Facile One-Pot Synthesis, Computational and Molecular Docking Studies of Benzimidazole and Benzothiazole Compounds Using Amberlite IRA 400-Cl Resin as Green/Reusable Catalyst,” Journal of Molecular Structure 1268 (2022): 133704. doi:10.1016/j.molstruc.2022.133704
  • M.H. Geesi, Y. Riadi, A. Kaiba, E.O. Ibnouf, E.H. Anouar, O. Dehbi, S. Lazar, and P. Guionneau, “Synthesis, Antimicrobial Evaluation, Crystal Structure, Hirschfeld Surface Analysis and Docking Studies of 4-[2-(1-Methyl-1H-Imidazol-2-Ylsulfanyl)-Acetylamino]-Benzenesulfonic Acid,” Journal of Molecular Structure 1265 (2022): 133425. doi:10.1016/j.molstruc.2022.133425
  • S.R. Begum, D.J. Rao, K.V.R. Rao, Y. Ramakrishna, N. Elangovan, and R. Thomas, “Quantum Mechanical Studies of 5-Amino-2-(6-(2-Hydroxyethyl)-3-Oxononyl) Cyclohex-2-Enone Isolated from a Marine Algae,” Vietnam Journal of Chemistry 60 (2022): 362–75.
  • M.M. Hamed, M. Sayed, S.A. Abdel-Mohsen, A.A. Saddik, O.A. Ibrahim, A.M.K. El-Dean, and M.S. Tolba, “Synthesis, Biological Evaluation, and Molecular Docking Studies of Novel Diclofenac Derivatives as Antibacterial Agents,” Journal of Molecular Structure 1273 (2023): 134371. doi:10.1016/j.molstruc.2022.134371
  • U.D. Izuchukwu, F.C. Asogwa, H. Louis, E.F. Uchenna, T.E. Gber, U.M. Chinasa, N.J. Chinedum, B.O. Eze, A.S. Adeyinka, and O.U. Chris, “Synthesis, Vibrational Analysis, Molecular Property Investigation, and Molecular Docking of New Benzenesulphonamide-Based Carboxamide Derivatives against Plasmodium falciparum,” Journal of Molecular Structure 1269 (2022): 133796. doi:10.1016/j.molstruc.2022.133796

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