Química supramolecular (SUPRAMOL)

Publicacions en revistes

  • Vega, M.; Martínez-Crespo, L.; Barceló-Oliver, M.; Rotger, C.; Costa, A., "Light-Driven Photoconversion of Squaramides with Implications in Anion Transport", "Organic Letters", Volum 25, Número 19, Pàgines 3423-3428, 2023. Article.
  • Debasish Dutta; Trishnajyoti Baishya; Rosa M. Gomila; Antonio Frontera; Miquel Barcelo-Oliver; Akalesh K. Verma; Manjit K. Bhattacharyya, "Supramolecular Assemblies involving Energetically Significant Unconventional π(CN)- π and Anion-π(nitrile) Contacts in Zn(II) Coordination Compounds: Antiproliferative Evaluation and Theoretical Studies", "Journal of Molecular Structure", Volum 1274, Pàgines 134568, 2023. Article.
  • Trishnajyoti Baishya; Rosa M. Gomila; Antonio Frontera; Miquel Barcelo-Oliver; Akalesh K. Verma; Manjit K. Bhattacharyya, "Enclathration of Mn(II)(H2O)6 guests and unusual Cu?O bonding contacts in supramolecular assemblies of Mn(II) Co-crystal hydrate and Cu(II) Pyridinedicarboxylate: Antiproliferative evaluation and theoretical studies", "Polyhedron", Volum 230, Pàgines 116243, 2023. Article.
  • Majumdar, D.; Roy, S.; Frontera, A.; Gomila, R.M.; Pal, T.K., "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", Volum 1276, 2023. Article.
  • Zaib, S.; Ibrar, A.; Khan, I.; Gomila, R.M.; Tariq, M.U.; Simpson, J.; McAdam, C.J.; Alrbyawi, H.; Pashameah, R.A.; Alzahrani, E.; Farouk, A.-E.; Frontera, A., "Unraveling the impact of hydrogen bonding and CH(CN) interactions in crystal engineering of cyclic aminobenzonitriles: A combined X-ray crystallographic and computational investigation", "Journal of Molecular Structure", Volum 1273, 2023. Article.
  • Das, D.; Sutradhar, S.; Gomila, R.M.; Rissanen, K.; Frontera, A.; Ghosh, B.N., "Synthesis, structure and application of a simple cadmium(II)-terpyridine complex as sensor material for selective detection of pyrophosphate anion", "Journal of Molecular Structure", Volum 1273, 2023. Article.
  • Belmont-Sánchez, J.C.; Choquesillo-Lazarte, D.; Navarrete-Casas, R.; Frontera, A.; Castiñeiras, A.; Niclós-Gutiérrez, J.; Matilla-Hernández, A., "A Tetranuclear Ni(II)-Cubane Cluster Molecule Build by Four µ3-O-Methanolate (MeO) Ligands, Externally Cohesive by Four Unprecedented Bridging µ2-N7,O6-Acyclovirate (acv-H) Anions", "Crystals", Volum 13, Número 1, 2023. Article.
  • Sapronov, A.A.; Kubasov, A.S.; Khrustalev, V.N.; Artemjev, A.A.; Burkin, G.M.; Dukhnovsky, E.A.; Chizhov, A.O.; Kritchenkov, A.S.; Gomila, R.M.; Frontera, A.; Tskhovrebov, A.G., "Se Chalcogen Bonding in 1,2,4-Selenodiazolium Tetraphenylborate Complexes", "Symmetry-Basel", Volum 15, Número 1, 2023. Article.
  • Alizadeh, V.; Mahmoudi, G.; Priola, E.; Seth, S.K.; White, J.M.; Frontera, A.; Safin, D.A., "Helical coordination complex of Hg(ClO4)2 with bulky hydrazone derivative: A Möbius-like discrete metal chelate", "Inorganic Chemistry Communications", Volum 149, 2023. Article.
  • Pranay Sharma; Rosa M. Gomila; Miquel Barcelo-Oliver; Akalesh K. Verma; Diksha Dutta; Antonio Frontera; Manjit K. Bhattacharyya, "Unconventional Dual Donor-Acceptor Topologies of Aromatic Rings in Amine-based Polymeric Tetrahedral Zn(II) Compounds involving Unusual Non-Covalent Contacts: Antiproliferative Evaluation and Theoretical Studies", "Crystals", Volum 13, Número 3, Pàgines 382 (1)-382 (25), 2023. Article.
  • Baishya, T.; Gomila, R.M.; Barcelo-Oliver, M.; Gil, D.M.; Bhattacharyya, M.K.; Frontera, A., "Supramolecular Assemblies in Pyridine- and Pyrazole-Based Coordination Compounds of Co(II) and Ni(II): Characterization, Hirshfeld Analysis and Theoretical Studies", "Crystals", Volum 13, Número 2, 2023. Article.
  • Calabrese, M.; Pizzi, A.; Daolio, A.; Ursini, M.; Frontera, A.; Demitri, N.; Lenczyk, C.; Wojciechowski, J.; Resnati, G., "Geminal Charge-Assisted Tetrel Bonds in Bis-Pyridinium Methylene Salts", "Crystal Growth & Design", Volum 23, Número 3, Pàgines 1898-1902, 2023. Article.
  • Smirnov, A.S.; Mikherdov, A.S.; Rozhkov, A.V.; Gomila, R.M.; Frontera, A.; Kukushkin, V.Y.; Bokach, N.A., "Halogen Bond-Involving Supramolecular Assembly Utilizing Carbon as a Nucleophilic Partner of IC Non-covalent Interaction", "Chemistry-An Asian Journal", 2023. Article.
  • Barbas, R.; Bofill, L.; Kumar, V.; Prohens, R.; Frontera, A., "Cooperativity effects in a new pterostilbene/phenanthroline cocrystal", "Journal of Molecular Structure", Volum 1282, 2023. Article.
  • Kinzhalov, M.A.; Ivanov, D.M.; Shishkina, A.V.; Melekhova, A.A.; Suslonov, V.V.; Frontera, A.; Kukushkin, V.Y.; Bokach, N.A., "Halogen bonding between metal-bound I3 and unbound I2: the trapped I2I3 intermediate in the controlled assembly of copper(i)-based polyiodides", "Inorganic Chemistry Frontiers", 2023. Article.
  • Thakur, S.; Wahedur, S.; Gomila, R.M.; Frontera, A.; Chattopadhyay, S., "A combined experimental and theoretical study of covalent vs noncovalent dimer formation in vanadium(V) complexes with Schiff base ligands", "Polyhedron", Volum 235, 2023. Article.
  • Das, L.K.; Bhunia, P.; Gomila, R.M.; Frontera, A.; Ghosh, A., "Influence of non-covalent interactions on the coordination geometry of Ni(ii) in Ni(ii)-M(ii) complexes (M = Zn and Hg) with a salen-type N2O2 Schiff base ligand and thiocyanate ion as the coligand", "Crystengcomm", 2023. Article.
  • Burguera, S.; Gomila, R.M.; Bauzá, A.; Frontera, A., "Square Planar Pt(II) Ion as Electron Donor in Pnictogen Bonding Interactions", "Inorganics", Volum 11, Número 2, 2023. Article.
  • Bhunia, P.; Gomila, R.M.; Frontera, A.; Ghosh, A., "Combined effects of the lewis acidity and electric field of proximal redox innocent metal ions on the redox potential of vanadyl Schiff base complexes: an experimental and theoretical study", "Dalton Transactions", 2023. Article.
  • Burguera, S.; Gomila, R.M.; Bauzá, A.; Frontera, A., "Matere Bonds in Technetium Compounds: CSD Survey and Theoretical Considerations", "Crystals", Volum 13, Número 2, 2023. Article.
  • Pinku Sarma; Rosa M. Gomila; Antonio Frontera; Miquel Barcelo-Oliver; Manjit K. Bhattacharyya, "Cooperative Ternary Assemblies Involving Anion-π/π-π/Anion-π Assemblies and Unconventional Cl· · · Cl Interactions in Cu(II) Coordination Compounds: Experimental and Theoretical Studies", "Crystals", Volum 13, Pàgines 517, 2023. Article.
  • María de las Nieves Piña, Akshay Kumar Sahu, Antonio Frontera, Himansu S. Biswal, Antonio Bauzá, "Tetrel bonds involving a CF3 group participate in protein-drug recognition: a combined crystallographic and computational study", "Physical Chemistry Chemical Physics", 2023. Article.
  • Trishnajyoti Baishya; Kamal K. Dutta; Antonio Frontera; Rosa M. Gomila; Miquel Barceló?Oliver; Manjit K. Bhattacharyya, "On the Importance of H?Bonding Interactions in the Enclathration of Boric Acids in Na(I) Polymers: Experimental and Theoretical Studies", "Crystals", Volum 13, Pàgines 895, 2023. Article.
  • Manjit K. Bhattacharyya; Kamal K. Dutta; Pranay Sharma; Rosa M. Gomila; Miquel Barceló-Oliver; Antonio Frontera, "Structure Guiding Supramolecular Assemblies in Metal-Organic Multi-Component Compounds of Mn(II): Experimental and Theoretical Studies", "Crystals", Volum 13, Pàgines 837, 2023. Article.
  • Eduardo Castellanos; Rosa Gomila; Rashita Manha Veedu; Gustavo Ferández; Antonio Frontera; Bartolomé Soberats, "Columnar liquid-crystalline J-aggregates based on N-core-substituted naphthalene diimides", "Journal Of Materials Chemistry C", Volum 11, Pàgines 10884-10892, 2023. Article.
  • Artemjev, A.A.; Kubasov, A.S.; Zaytsev, V.P.; Borisov, A.V.; Kritchenkov, A.S.; Nenajdenko, V.G.; Gomila, R.M.; Frontera, A.; Tskhovrebov, A.G., "Novel Chalcogen Bond Donors Derived from [3+2] Cycloaddition Reaction between 2-Pyridylselenyl Reagents and Isocyanates: Synthesis, Structures and Theoretical Studies", "Crystal Growth & Design", Volum 23, Número 4, Pàgines 2018-2023, 2023. Article.
  • ul Nisa, Z.; Ashashi, N.A.; Singhaal, R.; Ahmad, M.; Gomila, R.M.; Frontera, A.; Sheikh, H.N., "Selective and efficient detection of Pb2+ in aqueous solution by lanthanoid-organic frameworks bearing pyridine-3,4-dicarboxylic acid and glutaric acid", "Crystengcomm", Volum 25, Número 16, Pàgines 2418-2440, 2023. Article.
  • Burguera, S.; Gomila, R.M.; Bauzá, A.; Frontera, A., "Chalcogen Bonds, Halogen Bonds and Halogen···Halogen Contacts in Di- and Tri-iododiorganyltellurium(IV) Derivatives", "Inorganics", Volum 11, Número 5, 2023. Article.
  • Panja, A.; Das, M.; Jana, N.C.; Brandão, P.; Gomila, R.M.; Ortega-Castro, J.; Frontera, A.; Ray, P.P., "Combined experimental and theoretical studies of conformationally diverse (thio)semicarbazone-based semiconducting materials", "Crystengcomm", Volum 25, Número 14, Pàgines 2133-2143, 2023. Article.
  • Fedorova, I.I.; Soldatova, N.S.; Ivanov, D.M.; Nikiforova, K.; Aliyarova, I.S.; Yusubov, M.S.; Tolstoy, P.M.; Gomila, R.M.; Frontera, A.; Kukushkin, V.Y.; Postnikov, P.S.; Resnati, G., "Benzothienoiodolium Cations Doubly Bonded to Anions via Halogen-Chalcogen and Halogen-Hydrogen Supramolecular Synthons", "Crystal Growth & Design", Volum 23, Número 4, Pàgines 2661-2674, 2023. Article.
  • Rekha Boruah, S.; Bhattacharjee, M.; Dutta Purkayastha, R.N.; Modak, S.; Aktar, T.; Maiti, D.; Siero, L.; Maniukiewicz, W.; Gomila, R.M.; Frontera, A., "Insights into Synthesis, Crystal Structure, Bioactivity and Computational Studies of Cu(II) and Zn(II) Carboxylates Containing Aminopyridine", "Chemistryselect", Volum 8, Número 19, 2023. Article.
  • Pinto, A.; Llanos, A.; Gomila, R.M.; Frontera, A.; Rodríguez, L., "Ligand and Gold(I) Fluorescein-AIEgens as Photosensitizers in Solution and Doped Polymers", "Inorganic Chemistry", Volum 62, Número 19, Pàgines 7131-7140, 2023. Article.
  • Giordana, A.; Gomila, R.M.; Rabezzana, R.; Laurenti, E.; Priola, E.; Eftekhari-Sis, B.; Mahmoudi, G.; Frontera, A., "Hydrogen Bonding, -Stacking, and Aurophilic Interactions in Two Dicyanoaurate(I)-Based Manganese(II) Complexes with Auxiliary Bis-Pyridine Ligands", "Chempluschem", Volum 88, Número 5, 2023. Article.
  • Kolesnik, I.A.; Potkin, V.I.; Grigoriev, M.S.; Novikov, A.P.; Gomila, R.M.; Podrezova, A.G.; Brazhkin, V.V.; Zubkov, F.I.; Frontera, A., "Synthesis, X-ray characterization and DFT calculations of a series of 3-substituted 4,5-dichloroisothiazoles", "Crystengcomm", Volum 25, Número 13, Pàgines 1976-1985, 2023. Article.
  • Middya, P.; Karmakar, M.; Gomila, R.M.; Drew, M.G.B.; Frontera, A.; Chattopadhyay, S., "The importance of spodium bonds, H-bonds and -stacking interactions in the solid state structures of four zinc complexes with tetradentate secondary diamine ligands", "New Journal of Chemistry", Volum 47, Número 19, Pàgines 9346-9363, 2023. Article.
  • Zaib, S.; Ibrar, A.; Khan, I.; Rana, N.; Gomila, R.M.; McAdam, C.J.; Al-Askar, A.A.; Elkaeed, E.B.; Frontera, A., "Insight into structural topology and supramolecular assembly of tetrahydrocarbazole-carbonitrile: On the importance of noncovalent interactions and urease inhibitory profile", "Journal of Molecular Structure", Volum 1285, 2023. Article.
  • Munir, R.; Zaib, S.; Khan, I.; Islam, Z.T.; Gomila, R.M.; McAdam, C.J.; Yeow, C.H.S.; White, J.M.; Hökelek, T.; Al-Askar, A.A.; Elkaeed, E.B.; Frontera, A., "Complex interplay of hydrogen bonding, halogen bonding and -interactions in methyl 2-(7-chloro-1H-pyrazolo[3,4-b]quinolin-1-yl)acetate: Synthesis, X-ray crystallography, energetic features and anti-urease efficacy", "Journal of Molecular Structure", Volum 1287, 2023. Article.
  • Royla, P.; Schwedtmann, K.; Han, Z.; Fidelius, J.; Gates, D.P.; Gomila, R.M.; Frontera, A.; Weigand, J.J., "Cationic Phosphinidene as a Versatile P1 Building Block: [LC-P]+ Transfer from Phosphonio-Phosphanides [LC-P-PR3]+ and Subsequent LC Replacement Reactions (LC = N-Heterocyclic Carbene)", "Journal of the American Chemical Society", Volum 145, Número 18, Pàgines 10364-10375, 2023. Article.
  • Saha, B.; Bhattacharjee, M.; Boruah, S.R.; N Dutta Purkayastha, R.; M Gomila, R.; Chowdhury, S.; Mandal, A.; Frontera, A., "Synthesis, structural characterization, DNA interaction, dye adsorption properties and theoretical studies of copper (II) carboxylates", "Journal of Molecular Structure", Volum 1272, 2023. Article.
  • Semenov, A.V.; Baykov, S.V.; Soldatova, N.S.; Geyl, K.K.; Ivanov, D.M.; Frontera, A.; Boyarskiy, V.P.; Postnikov, P.S.; Kukushkin, V.Y., "Noncovalent Chelation by Halogen Bonding in the Design of Metal-Containing Arrays: Assembly of Double -Hole Donating Halolium with CuI-Containing O,O-Donors", "Inorganic Chemistry", Volum 62, Número 15, Pàgines 6128-6137, 2023. Article.
  • Burguera, S.; Frontera, A.; Bauzá, A., "Substituent Effects in Tetrel Bonds Involving Aromatic Silane Derivatives: An ab initio Study", "Molecules", Volum 28, Número 5, 2023. Article.
  • Benito, M.; Frontera, A.; Molins, E., "Cocrystallization of Antifungal Compounds Mediated by Halogen Bonding", "Crystal Growth & Design", Volum 23, Número 4, Pàgines 2932-2940, 2023. Article.
  • Acebedo-Martínez, F.J.; Alarcón-Payer, C.; Verdugo-Escamilla, C.; Martín, J.; Frontera, A.; Domínguez-Martín, A.; Gómez-Morales, J.; Choquesillo-Lazarte, D., "Rational Coformer Selection in the Development of 6-Propyl-2-thiouracil Pharmaceutical Cocrystals", "Pharmaceuticals", Volum 16, Número 3, 2023. Article.
  • Calabrese, M.; Burguera, S.; Resnati, G.; Frontera, A., "Group-10 -holedz2 [MII] interactions: a theoretical study of model systems inspired by CSD structures", "Dalton Transactions", Volum 52, Número 16, Pàgines 5056-5064, 2023. Article.
  • Burguera, S.; Frontera, A.; Bauza, A., "Regium Bonds Involving Nucleobases: Theoretical Study and Biological Implications", "Inorganic Chemistry", Volum 62, Número 17, Pàgines 6740-6750, 2023. Article.
  • Lang, L.; Frontera, A.; Perez, A.; Bauzá, A., "Computational Study of Driving Forces in ATSP, PDIQ, and P53 Peptide Binding: CO···CO Tetrel Bonding Interactions at Work", "Journal Of Chemical Information And Modeling", Volum 63, Número 10, Pàgines 3018-3029, 2023. Article.
  • Bhunia, S.; Das, P.; Banerjee, S.; Gomila, R.M.; Drew, M.G.B.; Frontera, A.; Ray, P.P.; Chattopadhyay, S., "Fabrication of Schottky barrier diodes utilizing carboxylate bridged trinuclear mixed valence cobalt(iii/ii/iii) complexes of tetradentate N2O2 donor reduced Schiff base ligands", "New Journal of Chemistry", Volum 47, Número 30, Pàgines 14202-14216, 2023. Article.
  • Pramanik, S.; Jana, S.; Das, K.; Pathak, S.; Ortega-Castro, J.; Frontera, A.; Mukhopadhyay, S., "Crystallographic Aspects, Photophysical Properties, and Theoretical Survey of Tetrachlorometallates of Group 12 Metals [Zn(II), Cd(II), and Hg(II)] with a Triply Protonated 2,4,6-Tris(2-pyridyl)-1,3,5-triazine Ligand", "Inorganic Chemistry", Volum 62, Número 19, Pàgines 7220-7234, 2023. Article.
  • Toikka, Y.N.; Starova, G.L.; Suslonov, V.V.; Gomila, R.M.; Frontera, A.; Kukushkin, V.Y.; Bokach, N.A., "Combined - and -Hole Donor Properties of Perfluorinated Iodo(or bromo)benzenes: Halogen Bonding and -Hole Interactions in Cocrystals Including Cu4I4 Clusters1", "Crystal Growth & Design", Volum 23, Número 7, Pàgines 5194-5203, 2023. Article.
  • Firdoos, T.; Kumar, P.; Sharma, N.; Gomila, R.M.; Frontera, A.; Sood, P.; Pandey, S.K., "Thallium(i)phosphorodithioates containing intra- and intermolecular -hole triel bonds", "Crystengcomm", Volum 25, Número 26, Pàgines 3777-3789, 2023. Article.
  • Calabrese, M.; Pizzi, A.; Beccaria, R.; Frontera, A.; Resnati, G., "Halogen Bonding Assembles AnionAnion Architectures in Non-centrosymmetric Iodate and Bromate Crystals", "Chemphyschem", Volum 24, Número 16, 2023. Article.
  • Acebedo-Martínez, F.J.; Domínguez-Martín, A.; Alarcón-Payer, C.; Frontera, A.; Ibáñez, I.; Choquesillo-Lazarte, D., "Evaluation of synthon influence on ethenzamide-polyphenol pharmaceutical cocrystals", "Crystengcomm", Volum 25, Número 21, Pàgines 3150-3163, 2023. Article.
  • Romo-Islas, G.; Gomila, R.M.; Frontera, A.; Rodríguez, L., "Supramolecular luminescent Pt(ii) tweezers: aggregation studies and 1O2 production", "Inorganic Chemistry Frontiers", 2023. Article.
  • Calabrese, M.; Gomila, R.M.; Pizzi, A.; Frontera, A.; Resnati, G., "Erythronium Bonds: Noncovalent Interactions Involving Group 5 Elements as Electron-Density Acceptors**", "Chemistry-A European Journal", 2023. Article.
  • Gurbanov, A.V.; Aliyeva, V.A.; Gomila, R.M.; Frontera, A.; Mahmudov, K.T.; Pombeiro, A.J.L., "Chalcogen Bonding in the Decoration of the Secondary Coordination Sphere of Copper(II) Complexes: Activation of Nitriles, the Auxiliary Ligand Substituent Effect", "Crystal Growth & Design", 2023. Article.
  • Middya, P.; Gomila, R.M.; Frontera, A.; Chattopadhyay, S., "Hostguest interactions in the solid state structure of a zinc(II) compound with a protonated diamine and DFT study", "Inorganic Chemistry Communications", Volum 157, 2023. Article.
  • Smirnov, A.S.; Kinzhalov, M.A.; Gomila, R.M.; Frontera, A.; Bokach, N.A.; Kukushkin, V.Y., "Isocyanide -Hole Interactions Supported by Aurophilic Forces", "Crystals", Volum 13, Número 8, 2023. Article.
  • Gomila, R.M.; Frontera, A.; Tiekink, E.R.T., "Supramolecular aggregation featuring HgS secondary-bonding interactions in crystals of mercury(ii) species augmented by computational chemistry calculations", "Crystengcomm", 2023. Article.
  • Garazade, I.M.; Gurbanov, A.V.; Gomila, R.M.; Frontera, A.; Nunes, A.V.M.; Mahmudov, K.T.; Pombeiro, A.J.L., "Spodium, halogen and hydrogen bonds in the reactivity of bis(2,4-bis(trichloromethyl)-1,3,5-triazapentadienato)-Zn(ii)", "New Journal of Chemistry", Volum 47, Número 34, Pàgines 15856-15861, 2023. Article.
  • Rosales-Martínez, C.; Matilla-Hernádez, A.; Choquesillo-Lazarte, D.; Frontera, A.; Castiñeiras, A.; Niclós-Gutiérrez, J., "The Copper(II)-Thiodiacetate (tda) Chelate as Efficient Receptor of N9-(2-Hydroxyethyl)Adenine (9heade): Synthesis, Molecular and Crystal Structures, Physical Properties and DFT Calculations of [Cu(tda)(9heade)(H2O)]·2H2O", "Molecules", Volum 28, Número 15, 2023. Article.
  • Mousavi, H.; García-Rubiño, M.E.; Choquesillo-Lazarte, D.; Castiñeiras, A.; Lezama, L.; Frontera, A.; Niclós-Gutiérrez, J., "H(N3)dap (Hdap = 2,6-Diaminopurine) Recognition by Cu2(EGTA): Structure, Physical Properties, and Density Functional Theory Calculations of [Cu4(-EGTA)2(-H(N3)dap)2(H2O)2]·7H2O", "Molecules", Volum 28, Número 17, 2023. Article.
  • Biskup, D.; Bergmann, T.; Schnakenburg, G.; Gomila, R.M.; Frontera, A.; Streubel, R., "Synthesis of a 1-aza-2-phospha-acenaphthene complex profiting from coordination enabled chloromethane elimination", "Rsc Advances", Volum 13, Número 31, Pàgines 21313-21317, 2023. Article.
  • Karmakar, M.; Sk, W.; Gomila, R.M.; Drew, M.G.B.; Frontera, A.; Chattopadhyay, S., "An insight into the hydrogen bonding, halogen bonding and chalcogen bonding interactions in manganese(iii) complexes with N2O2donor salicylidine Schiff base ligands", "Rsc Advances", Volum 13, Número 31, Pàgines 21211-21224, 2023. Article.