Química supramolecular (SUPRAMOL)

Publicacions en revistes

  • Saha, U.; Dutta, D.; Bauza, A.; Frontera, A.; Sarma, B.; Bhattacharyya, M., "Werner type clathrates involving guest benzoic acid and benzoate in discrete Mn(II) hosts: Experimental and theoretical studies", "Polyhedron", Volum 159, Pàgines 383-389, 2018. Article.
  • Das, M.; Craig, G. A.; Escudero, D.; Murrie, M.; Frontera, A.; Ray, D., "A family of [Cu2]?, [Cu4] and [Cu5] aggregates: alteration of reaction conditions, ancillary bridges and capping anions", "New Journal of Chemistry", Volum 42, Pàgines 14349-14364, 2018. Article.
  • Garcia-Raso, A.; Terron, A.; Bauza, A.; Frontera, A.; Molina, J. J.; Vazquez-Lopez, E. M.; Fiol, J. J., "Crystal structures of N6-?modified-?aminoacid?/peptide nucleobase analogs: Hybrid adenine-?glycine and adenine-?glycylglycine molecules", "New Journal of Chemistry", Volum 42, Pàgines 14742-14750, 2018. Article.
  • Ghorai, P.; Brandao, P.; Bauza, A.; Frontera, A.; Saha, A., "Synthesis of Multinuclear Zn(II) Complexes Involving 8-?Aminoquinoline- Based Schiff-?Base Ligand: Structural Diversity, DNA Binding Studies and Theoretical Calculations.", "Chemistryselect", Volum 3, Pàgines 7697-7706, 2018. Article.
  • Seth, S. K.; Bauza, A.; Mahmoudi, G.; Stilinovic, V.; Lopez-Torres, E.; Zaragoza, G.; Keramidas, A. D.; Frontera, A., "On the importance of Pb···X (X = O, N, S, Br) tetrel bonding interactions in a series of tetra- and hexa-?coordinated Pb(II) compounds", "Crystengcomm", Volum 20, Pàgines 5033-5044, 2018. Article.
  • Das, K.; Woyessa, . W.; Datta, A.; Beyene, B. B.; Goswami, S.; Garribba, E.; Frontera, A.; Sinha, C., "A Ni(II) derivative incorporating tetradentate Schiff base precursor: Structure, spectral, electrochemical and DFT interpretation", "Journal of Molecular Structure", Volum 1173, Pàgines 462-468, 2018. Article.
  • Bauza, A.; Frontera, A., "Tetrel bonding interactions in perchlorinated cyclopenta- and cyclohexatetrelanes: a combined DFT and CSD study", "Molecules", Volum 23, Pàgines 1770, 2018. Article.
  • Naskar, B.; Bauza, A.; Frontera, A.; Maiti, D. K.; Das Mukhopadhyay, C.; Goswami, S., "A versatile chemosensor for the detection of Al3+ and picric acid (PA) in aqueous solution", "Dalton Transactions", Volum 47, 2018. Article.
  • Majumder, I.; Chakraborty, P.; Alvarez, R.; Gonzalez-Diaz, M.; Pelaez, R.; Ellahioui, Y.; Bauza, A.; Frontera, A.; Zangrando, E.; Gomez-Ruiz, S.; Das, D., "Bioactive Heterometallic CuII-?ZnII Complexes with Potential Biomedical Applications", "Acs Omega", Volum 3, Pàgines 13343-13353, 2018. Article.
  • Ghosh, K.; Harms, K.; Bauza, A.; Frontera, A.; Chattopadhyay, S., "σ-?Hole halogen bonding interactions in a mixed valence cobalt(III?/II) complex and anti-?electrostatic hydrogen bonding interaction in a cobalt(III) complex: a theoretical insight", "Crystengcomm", Volum 20, Pàgines 7281-7292, 2018. Article.
  • Castineiras, A.; Garcia-Santos, I.; Gonzalez-Perez, J. M.; Bauza, A.; Zareba, J. K.; Niclos-Gutierrez, J.; Torres, R.; Vilchez, E.; Frontera, A., "Multicomponent Supramolecular Assemblies of Melamine and α-?Hydroxycarboxylic Acids: Understanding the Hydrogen Bonding Patterns and Their Physicochemical Consequences", "Crystal Growth & Design", Volum 18, Pàgines 6786-6800, 2018. Article.
  • Andleeb, H.; Khan, I.; Bauza, A.; Tahir, M. N.; Simpson, J.; Hameed, S.; Frontera, A., "A comparative experimental and theoretical investigation of hydrogen-?bond, halogen-?bond and π-?π interactions in the solid-?state supramolecular assembly of 2- and 4-?formylphenyl arylsulfonates", "Acta Crystallographica Section C-Structural Chemistry", Volum 74, Número 7, Pàgines 816-829, 2018. Article.
  • Banerjee, S.; Dey, A.; Ghorai, P.; Brandao, P.; Ortega-Castro, J.; Frontera, A.; Ray, P. P.; Saha, A., "Experimental and computational investigations of the photosensitive Schottky barrier diode property of an azobenzene based small organic molecule", "New Journal of Chemistry", Volum 42, Pàgines 13430-13441, 2018. Article.
  • Purkayastha, A.; Debnath, D.; Majumder, M.; Ortega-Castro, J.; Kirillov, A. M.; Ganguly, R.; Klak, J.; Frontera, A.; Misra, T. K., "Nickel(II) based homo- vs. heterometallic 1D coordination polymers derived from a novel 6-?aminouracil building block: Structures, topologies, non-?covalent interactions, magnetism, and antibacterial activity", "Inorganica Chimica Acta", Volum 482, Pàgines 384-394, 2018. Article.
  • Barbas, R.; Prohens, R.; Font-Bardia, M.; Bauza, A.; Frontera, A., "Hydrogen bonding versus π-?interactions: their key competition in sildenafil solvates", "Crystengcomm", Volum 20, Pàgines 4526-4530, 2018. Article.
  • Purkait, S.; Chakraborty, P.; Frontera, A.; Bauza, A.; Zangrando, E.; Das, D., "Zinc(II) complexes with uncommon aminal and hemiaminal ether derivatives: synthesis, structure, phosphatase activity and theoretical rationalization of ligand and complex formation", "New Journal of Chemistry", Volum 42, Pàgines 12998-13009, 2018. Article.
  • Saha, S.; Biswas, N.; Sasmal, A.; Gomez-Garcia, C. J.; Garribba, E.; Bauza, A.; Frontera, A.; Pilet, G.; Rosair, G. M.; Mitra, S.; Roy Choudhury, C., "Effect of temperature and ligand protonation on the electronic ground state in Cu(II) polymers having unusual secondary interactions: a magnetic and catechol oxidase study", "Dalton Transactions", Volum 47, Pàgines 16102-16118, 2018. Article.
  • Naseer, M. M.; Hussain, M.; Bauza, A.; Lo, K. M.; Frontera, A., "Intramolecular Noncovalent Carbon Bonding Interaction Stabilizes the cis Conformation in Acylhydrazones", "Chempluschem", Volum 83, Pàgines 881-885, 2018. Article.
  • Dutta, S.; Jana, S.; Mahapatra, P.; Bauza, A.; Frontera, A.; Ghosh, A., "Joining of trinuclear (CuL)?2M (M = MnII and CdII) nodes by 1,?3- and 1,?4-?benzenedicarboxylate linkers: positional isomeric effect on co-?crystallization", "Crystengcomm", Volum 20, Pàgines 6490-6501, 2018. Article.
  • Llorente, N.; Fernandez-Perez, H.; Bauza, A.; Frontera, A.; Vidal-Ferran, A., "Ni-?Catalysed Intramolecular [4+4]?-?cycloadditions of bis-?dienes towards eight-?membered fused bicyclic systems: a combined experimental and computational study", "Catalysis Science & Technology", Volum 8, Pàgines 5251-5258, 2018. Article.
  • Seth, S. K.; Bauza, A.; Frontera, A., "Bipolar behaviour of salt-?bridges: a combined theoretical and crystallographic study", "New Journal of Chemistry", Volum 42, Pàgines 12134-12142, 2018. Article.
  • Purkayastha, A.; Frontera, A.; Ganguly, R.; Misra, T. K., "Synthesis, structures, and investigation of noncovalent interactions of 1,?3-?dimethyl-?5-?(4'?/3'-?pyridylazo)?-?6-?aminouracil and their Ni(II) complexes", "Journal of Molecular Structure", Volum 1170, Pàgines 70-81, 2018. Article.
  • Lopez-Andarias, J.; Bauza, A.; Sakai, N.; Frontera, A.; Matile, S., "Remote Control of Anion-?π Catalysis on Fullerene-?Centered Catalytic Triads", "Angewandte Chemie-International Edition", Volum 57, Pàgines 10883-10887, 2018. Article.
  • Naseer, M. M.; Bauza, A.; Alnasr, H.; Jurkschat, K.; Frontera, A., "Lone pair-?π vs. σ-?hole-?π interactions in bromine head-?containing oxacalix[2]?arene[2]?triazines", "Crystengcomm", Volum 20, Pàgines 3251-3257, 2018. Article.
  • Escudero-Adan, E. C.; Bauza, A.; Lecomte, C.; Frontera, A.; Ballester, P., "Boron triel bonding: a weak electrostatic interaction lacking electron-?density descriptors", "Physical Chemistry Chemical Physics", Volum 20, Pàgines 24192-24200, 2018. Article.
  • Derakhshanrad, S.; Mirzaei, M.; Najafi, A.; Ritchie, C.; Bauza, A.; Frontera, A.; Mague, J. T., "Surface-?grafted lanthanoid complexes of the tungstosilicate polyanion [SiW12O40]?4-?: a synthetic, structural and computational investigation", "Acta Crystallographica Section C-Structural Chemistry", Volum 74, Pàgines 1300-1309, 2018. Article.
  • Frontera, A.; Bauza, A., "S···?Sn Tetrel Bonds in the Activation of Peroxisome Proliferator-?Activated Receptors (PPARs) by Organotin Molecules", "Chemistry-A European Journal", Volum 24, 2018. Article.
  • Mahmoudi, G.; Khandar, A.A.; Afkhami, F. A.; Miroslaw, B.; Gurbanov, A. V.; Zubkov, F. I.; Kennedy, A.; Franconetti, A.; Frontera, A., "Modulation of coordination in pincer-?type isonicotinohydrazone Schiff base ligands by proton transfer", "Crystengcomm", Volum 20, 2018. Article.
  • Cougnon, F. B. L.; Caprice, K.; Pupier, M.; Bauza, A.; Frontera, A., "A Strategy to Synthesize Molecular Knots and Links Using the Hydrophobic Effect", "Journal of the American Chemical Society", Volum 140, Pàgines 12442-12450, 2018. Article.
  • Kumar, M.; Kariem, M.; Sheikh, H. N.; Frontera, A.; Seth, S. K.; Jassal, A. K., "A series of 3D lanthanide coordination polymers decorated with a rigid 3,?5-?pyridinedicarboxylic acid linker: syntheses, structural diversity, DFT study, Hirshfeld surface analysis, luminescence and magnetic properties", "Dalton Transactions", Volum 47, Pàgines 12318-12336, 2018. Article.
  • Hossain, A.; Dey, A.; Seth, S. K.; Ray, P. P.; Ballester, P.; Pritchard, R. G.; Ortega-Castro, J.; Frontera, A.; Mukhopadhyay, S., "Enhanced Photosensitive Schottky Diode Behavior of Pyrazine over 2-?Aminopyrimidine Ligand in Copper(II)?-?Phthalate MOFs: Experimental and Theoretical Rationalization", "Acs Omega", Volum 3, Pàgines 9160-9171, 2018. Article.
  • Ghosh, K.; Banerjee, A.; Bauza, A.; Frontera, A.; Chattopadhyay, S., "One pot synthesis of two cobalt(III) Schiff base complexes with chelating pyridyltetrazolate and exploration of their bio-?relevant catalytic activities", "Rsc Advances", Volum 8, Pàgines 28216-28237, 2018. Article.
  • Duel, Paulino; Gutiérrez, M. Susana; Rodríguez, Paulino; León, Alberto; López, Kenia A.; Morey, Jeroni y Piña, M. Nieves, "Removal of Au3+ and Ag+ from aqueous media with magnetic nanoparticles functionalized with squaramide derivatives", "Rsc Advances", Volum 8, Número 63, Pàgines 36123-36132, 2018. Article.
  • Maria de las Nieves Piña; Paulina Rodriguez; Maria Susana Gutiérrez; David Quiñonero; Jeroni Morey; Antonio Frontera, "Adsorption and Quantification of Volatile Organic Compounds (VOCs) by using Hybrid Magnetic Nanoparticles", "Chemistry-A European Journal", Número 24, Pàgines 12820-12826, 2018. Article.
  • M. J. Rosales; M. Ximenis; A. Costa; C. Rotger; D. Romero; F. Olmo; E. Delgado; M. P. Clares; E. Garci?a-Espan?a; C. Mari?n; M. Sa?nchez, "In vitro activity of squaramides and acyclic polyamine derivatives against trophozoites and cysts of Acanthamoeba castellani", "Journal of Biosciences and Medicines", Volum 6, Pàgines 1-14, 2018. Article.
  • Luís Martínez, Eduardo escudero-Adán; Antonio Costa; Carmen Rotger, "The role of N-methyl squaramides in a hydrogen-bonding strategy to fold peptidomimetic compounds", "Chemistry-A European Journal", Volum 24, Pàgines 17802-17813, 2018. Article.
  • Marta Ximenis; Javier Pitarch-Jarque; Salvador Blasco; Carmen Rotger; Enrique García-España; Antonio Costa, "Water-Soluble Squaramide Dihydrates: N?Methylation Modulates the Occurrence of One- and Two-Dimensional Water Clusters through Hydrogen Bonding and Dipolar Interactions", "Crystal Growth & Design", Volum 18, Número 8, Pàgines 4420-4427, 2018. Article.
  • Maria Nieves Piña; Paulina Rodríguez; Susana Gutierrez; David Quiñonero; Jeroni Morey; Antonio Frontera., "Adsorption and quantification of VOCs using Hybrid Magnetic Nanoparticles", "Chemistry-A European Journal", Volum 24, Número 49, Pàgines 12820-12826, 2018. Article.
  • Maity, T.; Mandal, H.; Bauza, A.; Samanta, B. C.; Frontera, A.; Seth, S. K., "Quantifying conventional C-H?π (aryl) and unconventional C-H?π (chelate) interactions in dinuclear Cu(II) complexes: Experimental observations, Hirshfeld surface and theoretical DFT study", "New Journal of Chemistry", Volum 42, Pàgines 10202-10213, 2018. Article.
  • Roy, S.; Drew, M. G. B.; Bauzá, A.; Frontera, A.; Chattopadhyay, S., "Formation of a water-mediated assembly of two neutral copper(II) Schiff base fragments with a Cu2(NCS)4 moiety: exploration of non-covalent C-H?π(bimetallo ring) interactions", "Crystengcomm", Volum 20, Pàgines 1679-1689, 2018. Article.
  • Mahmoudi, G.; Seth, S. K.; Bauzá, A.; Zubkov, F. I.; Gurbanov, A. V.; White, J.; Stilinovi?, V.; Doert, T.; Frontera, A., "Pb?X (X = N, S, I) tetrel bonding interactions in Pb(II) complexes: X-ray characterization, Hirshfeld surfaces and DFT calculations", "Crystengcomm", Volum 20, Pàgines 2812-2821, 2018. Article.
  • Bornhof, A.-B.; Bauzá, A.; Aster, A.; Pupier, M.; Frontera, A.; Vauthey, E.; Sakai, N.; Matile, S., "Synergistic Anion-(π)n-π Catalysis on π-Stacked Foldamers", "Journal of the American Chemical Society", Volum 140, Pàgines 4884-4892, 2018. Article.
  • Konar, S.; Dey, A.; Ray, S.; Das, K.; Chatterjee, S.; Ray, P. P.; Ortega-Castro, J.; Frontera, A.; Mukhopadhyay, S., "Two Zinc(II)-Based Metal Complexes of New Pyrimidine Derived Ligand: Anion-Dependent Structural Variations and Charge Transport Property Analysis", "Journal Of Physical Chemistry C", Volum 122, Pàgines 8724-8734, 2018. Article.
  • Bauzá, A.; Frontera, A., "Chalcogen 'like-like' Interactions Involving Trisulphide and Triselenide Compounds: A Combined CSD and Ab Initio Study", "Molecules", Volum 23, Pàgines 699, 2018. Article.
  • Frontera, A; Bauzá, A., "Regium-π bonds: An Unexplored Link between Noble Metal Nanoparticles and Aromatic Surfaces", "Chemistry-A European Journal", Volum 24, Pàgines 7228-7234, 2018. Article.
  • Martínez-Benito, C.; Bauzá, A.; Lago, A. B.; Ruiz-Pérez, C.; Jiménez, C. A.; Torres, M. E.; Frontera, A.; Pasán, J., "Anion−π Interactions in Hollow Crystals of a Copper(II)-Cyamelurate Coordination Complex", "Crystal Growth & Design", Volum 18, Pàgines 2636-2644, 2018. Article.
  • Singh, M. K.; Sutradhar, S.; Paul, B.; Adhikari, S.; Laskar, F.; Acharya, S.; Chakraborty, D.; Biswas, S:; Das, A.; Roy, S.; Frontera, A., "Mixed-ligand complexes of zinc(II) with 1,1-dicyanoethylene-2,2-dithiolate and N-donor ligands: A combined experimental and theoretical study", "Journal of Molecular Structure", Volum 1164, Pàgines 334-343, 2018. Article.
  • Roy, S. Drew, M. G. B.; Bauzá, A.; Frontera, A. Chattopadhyay, S., "Non-covalent tetrel bonding interactions in hemidirectional lead(II) complexes with nickel(II)-salen type metalloligands", "New Journal of Chemistry", Volum 42, Pàgines 6062-6076, 2018. Article.
  • Hossain, A.; Seth, S. K.; Bauzá, A.; Mukhopadhyay, S.; Frontera, A., "Coordination Polymers Based on Phthalic Acid and Aminopyrazine Ligands: On the Importance of N-H···π Interactions", "Polymers", Volum 10, Pàgines 182, 2018. Article.
  • Koner, A.; Sauerbrey, S.; Schnakenburg, G.; Bauzá, A.; Frontera, A.; Streubel, R., "Synthesis, Substitution, and Oxidation of Imidazole?2?thione Based Tricyclic 1,4?Dihydro?1,4?diphosphinines", "European Journal of Inorganic Chemistry", Volum 2018, Pàgines 904-916, 2018. Article.
  • Mahapatra, P.; Bauzá, A.; Frontera, A.; Drew, M. G. B.; Ghosh, A., "Syntheses of four new asymmetric Schiff bases and their Cu(II) complexes: Theoretical calculations to rationalize the packing of molecules in the crystals", "Inorganica Chimica Acta", Volum 477, Pàgines 89-101, 2018. Article.
  • Pérez-Toro, I.; Domínguez-Martína, A.; Choquesillo-Lazarte, D.; García-Rubiño, M. E.; González-Pérez, J. M.; Castiñeiras, A.; Bauzá, A.; Frontera, A.; Niclós-Gutiérrez, J., "Copper(II) polyamine chelates as efficient receptors for acyclovir: syntheses, crystal structures and dft study", "Polyhedron", Volum 145, Pàgines 218-226, 2018. Article.
  • Sarkar, N.; Drew, M. G. B.; Harms, K.; Bauzá, A.; Frontera, A.; Chattopadhyay, S., "Methylene spacer regulated variation in conformation of tetradentate N2O2 donor Schiff bases trapped in manganese(III) complexes", "Crystengcomm", Volum 20, Pàgines 1077-1086, 2018. Article.
  • Mahmoudi, G.; Zar?ba, J. K.; Bauzá, A.; Kubicki, M.; Bartyzel, A.; Keramidas, A. D.; Butusov, L.; Miros?aw, B.; Frontera, A., "Recurrent supramolecular motifs in discrete complexes and coordination polymers based on mercury halides: Prevalence of chelate ring stacking and substituent effects", "Crystengcomm", Volum 20, Pàgines 1065-1076, 2018. Article.
  • Bauzá, A.; Quiñonero, D.; Frontera, A., "Substituent Effects in Multivalent Halogen Bonding Complexes: A Combined Theoretical and Crystallographic Study", "Molecules", Volum 23, Pàgines 18, 2018. Article.
  • Seth, S. K.; Bauzá, A.; Frontera, A., "Screening polymorphism in Ni(II) metal-organic framework: Experimental observations, Hirshfeld surface analyses and DFT studies", "Crystengcomm", Volum 20, Pàgines 746-754, 2018. Article.
  • Prohens, R.; Portell, A.; Font-Bardia, M.; Bauzá A.; Frontera, A., "H-Bonded anion-anion complex trapped in a squaramido-based receptor", "Chemical Communications", Volum 54, Pàgines 1841-1844, 2018. Article.
  • Panga, A.; Frontera, A., "Valence tautomerism driven IPSO substitution in cobalt?bound tetrabromocatecholate ligands: Influence of positive charge at ligand backbone on phenoxazinone synthase activity", "European Journal of Inorganic Chemistry", Volum 2018, Pàgines 924-931, 2018. Article.
  • Prohens, R.; Portell, A.; Vallcorba, O.; Font-Bardia, M.; Bauza, A.; Frontera, A., "Polymorphism in secondary squaramides: on the importance of π-interactions involving the four membered ring", "Crystengcomm", Volum 20, Pàgines 237-244, 2018. Article.
  • Ghosh, K.; Harms, K.; Bauza, A. Frontera, A.; Chattopadhyay, S., "Heteronuclear Cobalt(III)/Sodium complexes with salen type compartmental Schiff base ligands: Methylene spacer regulated variation in nuclearity and exploration of σ/π-hole carbon bonding interactions", "Dalton Transactions", Volum 47, Pàgines 331-347, 2018. Article.
  • Hussain, M.; Bauzá, A.; Frontera, A.; Lo, H. M.; Naseer, M. M., "Structure guided or structure guiding? Mixed carbon/hydrogen bonding in a bis-Schiff base of N-allyl isatin", "Crystengcomm", Volum 20, Pàgines 150-154, 2018. Article.
  • Ghorai, P.; Brandão, P.; Bauzá, A.; Frontera, A.; Saha, A., "Anion-reliant structural versatility of novel cadmium(II) complexes: synthesis, crystal structures, photoluminescence properties and exploration of unusual O···S chalcogen bonding involving thiocyanate coligand", "Inorganica Chimica Acta", Volum 469, Pàgines 189-196, 2018. Article.