Química supramolecular (SUPRAMOL)

Publicacions en revistes

  • Bauzá, A.; Frontera, A., "Theoretical study on σ? and π?hole carbon···carbon bonding interactions: Implications in CFC chemistry.", "Physical Chemistry Chemical Physics", 2016. Article.
  • Bauzá, A.; García-Llinás, X.; Frontera, A., "Charge-assisted triel bonding interactions in solid state chemistry: A combined computational and crystallographic study", "Chemical Physics Letters", 2016. Article.
  • Mandal, S.; Sikdar, Y.; K. Maiti, D.; Sanyal, R.; Das, D.; Mukherjee, A.; Kumar Mandal, S.; Biswas, J.; Bauzá, A.; Frontera, A.; Goswami, S., "New pyridoxal based chemosensor for selective detection of Zn2+: Application in live cell imaging and phosphatase activity response", "Journal of Photochemistry and Photobiology A-Chemistry", 2016. Article.
  • Bauza, A.; Frontera, A.; Mooibroek T., "π-Hole interactions involving nitro compounds: Directionality of nitrate esters", "Crystal Growth & Design", 2016. Article.
  • Roy, S.; Bhattacharyya, A.; Frontera, A.; Chattopadhyay, Purkait, S.; Bauzá, A., "A combined experimental and computational study on supramolecular assemblies in hetero-tetranuclear nickel(II)-cadmium(II) complexes with N2O4 donor compartmental Schiff bases", "Dalton Transactions", 2016. Article.
  • Mahmoudi, G.; Bauzá, A.; Gurbanov, A. V.; Zubkov, F. I.; Maniukiewicz, W.; Rodríguez-Diéguez, A.; López-Torres, E.; Frontera, A., "The role of unconventional stacking interactions in the supramolecular assemblies of Hg(II) coordination compounds", "Crystengcomm", Volum 18, Pàgines 9056-9066, 2016. Article.
  • Halder, S.; Dey, A.; Ortega-Castro, J.; Frontera, A.; Ray, P. P.; Roy, P., "Irradiation Specified Conformational Change in a Small Organic Compound and Its Effect on Electrical Properties", "Journal Of Physical Chemistry C", Volum 120, Número 44, Pàgines 25557-25563, 2016. Article.
  • Purkayastha, A.; Debnath, D.; Roy, S.; Bauzá, A.; Choudhury, R.; Frontera, A.; Misra, T. K., "Synthesis and investigation of solid and solution state structures of nickel(II) complexes with 1,3-dimethyl-5-(arylazo)-6-aminouracil", "European Journal of Inorganic Chemistry", Volum 2016, Pàgines 5585-5593, 2016. Article.
  • Purkait, S.; Chakraborty, P.; Bauza, A.; Frontera, A.; Masera. C.; Das, D., "Halide Ion Mediated Aldehyde-Amine Condensation Leading to Schiff-base and Cyclized Non-Schiff-base Ligand Complexes of CdII: A Combined Experimental and Theoretical Investigation", "Chemistryselect", Volum 1, Número 15, Pàgines 4539-4549, 2016. Article.
  • Banik, R.; Roy, S.; Dlhá?, L-; Titis, J.; Boca, R.; Kirillov, A. M.; Martin, A. D.; Bauza, A.; Frontera, A.; Rodriguez-Dieguez, A.; Salas, J. M.; Das, S., "Self-assembly synthesis, structure, topology, and magnetic properties of a mononuclear Fe(III)-violurate derivative: A combined experimental and theoretical study", "Dalton Transactions", Volum 45, Pàgines 16166-16172, 2016. Article.
  • Bhattacharyy, A.; Bauzá, A.; Frontera, A.; Chattopadhyay, S., "Modulation in π···π, cation···π and C-H···H-C interactions varying the counter anions in square planar nickel(II) Schiff base complex: A combined experimental and theoretical study", "Polyhedron", Volum 119, Pàgines 451-459, 2016. Article.
  • Adak, P.; Ghosh, B.; Bauza, A.; Frontera, A.; Blake, A. J.; Corbella, M.;Mukhopadhyay, C. D.; Chattopadhyay, S. K., "Catecholase activity, DNA binding and Cytotoxicity studies of a Cu(II) complex of a pyridoxal Schiff base: Synthesis, X-ray crystal structure, spectroscopic, electrochemical and theoretical studies", "Rsc Advances", Volum 6, Pàgines 86851-86861, 2016. Article.
  • Panja, A.; Jana, N. Ch.; Bauzá, A.; Frontera, A.; Mathonière, C., "Solvent-Triggered Cis/Trans Isomerism in Cobalt Dioxolene Chemistry: Distinguishing Effects of Packing on Valence Tautomerism", "Inorganic Chemistry", Volum 55, Pàgines 8331-8340, 2016. Article.
  • Roy, S.; Oyarzabal, I.; Vallejo, J.; Cano, J.; Colacio, E.; Bauza, A.; Frontera, A.; Kirillov, A. M.; Drew, M. G. B.; Das, S., "Two Polymorphic Forms of a Six-Coordinate Mononuclear Cobalt(II) Complex with Easy-Plane Anisotropy: Structural Features, Theoretical Calculations, and Field-Induced Slow Relaxation of the Magnetization", "Inorganic Chemistry", Volum 55, Pàgines 8502-8513, 2016. Article.
  • Roy, S.; Bauzá, A.; Frontera, A.; Chattopadhyay, S., "A combined experimental and theoretical study on the synthesis and characterization of two new dinuclear cadmium(II) Schiff base complexes with selenocyanate-κ-Se", "Inorganica Chimica Acta", Volum 450, Pàgines 321-329, 2016. Article.
  • Bauza, A.; Frontera, A, "On the versatility of BH2X (X = F, Cl, Br and I) compounds as halogen, hydrogen and triel bond donors: An ab initio study.", "Chemphyschem", Volum 17, Pàgines 3181-3186, 2016. Article.
  • Prohens, R.; Portell, A.; Font-Bardia, A.; Bauza, A.; Frontera, A., "Experimental and theoretical study of weak intermolecular interactions in crystalline tertiary squaramides", "Crystengcomm", Volum 18, Pàgines 6437-6443, 2016. Article.
  • Bauza, A.; Frontera, A, "Electrostatically enhanced F···F interactions through hydrogen bonding, halogen bonding and metal coordination: An ab initio study.", "Physical Chemistry Chemical Physics", Volum 18, Pàgines 20381-20388, 2016. Article.
  • Balakrishna, B; Bauza, A.; Frontera, A.; Vidal-Ferran, A., "Asymmetric Hydrogenation of Seven-Membered C=N-containing Heterocycles and Rationalization of the Enantioselectivity", "Chemistry-A European Journal", Volum 22, Pàgines 10607-10613, 2016. Article.
  • Schwedtmann, K.; Schoemaker, R.; Hennersdorf, F.; Bauzá, A. Frontera, A.; Weiss, R.; Weigand, J. J., "Cationic 5-phosphonio-substituted N-heterocyclic carbenes", "Dalton Transactions", Volum 45, Pàgines 11384-11396, 2016. Article.
  • Mahmoudi, G.; Stilinovic, V.; Bauza, A.; Frontera, A.; Bartyzel, A.; Ruiz-Perez, C.; Kirillov, A. M., "Inorganic-Organic Hybrid Materials Based on PbBr2 and Pyridine-Hydrazone Blocks - Structural and Theoretical Study", "Rsc Advances", Volum 6, Pàgines 60385-60393, 2016. Article.
  • Pal, P.; Konar, S.; Lama, P.; Das, K.; Bauza, A.; Frontera, A.; Mukhopadhyay, S., "On the Importance of Noncovalent Carbon Bonding Interactions in the Stabilization of a 1D Co(II) Polymeric Chain as Precursor of a Novel 2D Coordination Polymer", "Journal of Physical Chemistry B", Volum 120, Pàgines 6803-6811, 2016. Article.
  • Banik, R.; Roy, S.; Kirillov, A. M.; Bauza, A.; Frontera, A.; Rodriguez-Dieguez, A.; Salas, J. M.; Maniukiewicz, W.; Das, S. K.; Das, S., "Two mixed-ligand cadmium(II) compounds bearing 5-nitrosopyrimidine and N-donor aromatic blocks: Self-assembly generation, structural and topological features, DFT studies, and Hirshfeld surface analysis", "Crystengcomm", Volum 18, Pàgines 5647-5657, 2016. Article.
  • Khan, S.; Jana, S.; Drew, M. G. B.; Bauza, A.; Frontera A.; Chattopadhyay, S., "A novel method for copper(II) mediated region-selective bromination of aromatic ring under mild condition", "Rsc Advances", Volum 6, Pàgines 61214-61220, 2016. Article.
  • Mahjoobizadeh, M.; Mirzaei, M.; Bauza, A.; Lippolis, V.; Aragoni, M. C.; Shamsipur, M.; Ghanbari, M.; Frontera, A., "Coordination Behavior of Chelidamic Acid With V(V), Ni(II), Fe(III) and Ca(II): Syntheses, X-ray Characterization and DFT Studies", "Chemistryselect", Volum 1, Número 8, Pàgines 1556-1566, 2016. Article.
  • Oliver, M.; Bauza, A.; Frontera, A.; Miró, M., "Fluorescent Lipid Nanoparticles as Biomembrane Models for Exploring Emerging Contaminant Bioavailability Supported by Density Functional Theory Calculations" [Online publication], "Environmental Science & Technology", Volum 50, Número 13, Pàgines 7135-7143, 2016. Article.
  • Mahmoudi, G.; Bauza, A.; Amini, M.; Molins, E.; Mangue, J. T.; Frontera, A., "On the importance of tetrel bonding interactions in Lead(II) complexes with (iso)nicotinohydrazide based ligands and several anions", "Dalton Transactions", Volum 45, Pàgines 10708-10716, 2016. Article.
  • Datta, A.; Das, K.; Mane, S.; Salah El Fallah, M.; Garribba, E.; Bauza, A.; Frontera, A.; Mendiratta, S.; Hung, C.-H.; Sinha, C., "A rare doubly nitrato and phenoxido bridged trimetallic CuII complex: EPR, antiferromagnetic coupling and theoretical rationalization", "Rsc Advances", Volum 6, Pàgines 54856-54865, 2016. Article.
  • Jana, S.; Bhowmik, S.; Harms, K.; Bauzá, A.; Frontera, A.; Chattopadhyay, S., "Theoretical study on the degree of delocalization of unpaired spin in two mixed valence copper(II/I) complexes with isomeric chelating diamines and iodide", "Inorganica Chimica Acta", Volum 451, Pàgines 16-22, 2016. Article.
  • Mahmoudi, G.; Bauza, A.; Frontera, A.; Garczarek, P.; Stilinovic, V.; Kirillov, A. M.;Kennedy, A. R.; Ruiz-Perez, C., "Metal-organic and Supramolecular Lead(II) Networks Assembled from Isomeric Nicotinoylhydrazone Blocks: The Effects of Ligand Geometry and Counter-ion on Topology and Supramolecular Assembly", "Crystengcomm", Volum 18, Pàgines 5375-5385, 2016. Article.
  • Roy, S.; Bauzá, A.; Frontera, A.; Chattopadhyay, S., "A combined experimental and computational study of supramolecular assemblies in two photoluminescent cadmium(II) complexes with halosalicylaldimine Schiff bases", "Inorganica Chimica Acta", Volum 450, Pàgines 321-329, 2016. Article.
  • Bazargan, M.; Mirzaei, M.; Eshtiagh-Hosseini, H.; Mague, J. T.; Bauzá, A.; Frontera, A., "Synthesis, X-ray Characterization and DFT study of a novel Fe(III)-Pyridine-2,6-Dicarboxylic Acid N-oxide Complex with Unusual Coordination Mode", "Inorganica Chimica Acta", Volum 449, Pàgines 44-51, 2016. Article.
  • Afkhami, F. A.; Khandar, A.; Mahmoudi, G.; Maniukiewicz, W.; Lipkowski, J.; White, J. M.; Waterman, R.; Garcia-Granda, S.; Zangrando, E.; Bauza, A.; Frontera, A., "Synthesis, X-ray characterization, DFT calculations and Hirshfeld surface analysis of Zn(II) and Cd(II) complexes based on isonicotinoylhydrazone ligan", "Crystengcomm", Volum 18, Pàgines 4587-4596, 2016. Article.
  • Bhattacharya, S.; Roy, S.; Harms, K.; Bauzá, A.; Chattopadhyay, S.; Frontera, A.; Ghosh, A., "Importance of chelate-chelate stacking interactions in crystal structures of square pyramidal copper(II) complexes with two distinct chelating bidentate", "Inorganica Chimica Acta", Volum 442, Pàgines 16-23, 2016. Article.
  • Majumder, I.; Chakraborty, P.; Adhikary, J.; Kara, H.; Zangrando, E.; Bauza, A.; Frontera, A.; Das, D., "Auxiliary Part of Ligand Mediated Unique Coordination Chemistry of Copper (II)", "Chemistryselect", Volum 1, Número 3, Pàgines 615-625, 2016. Article.
  • Banerjee, S.; Bauza, A.; Frontera A.; Saha, A., "Exploration of unconventional π-hole and C-H···H-C types of supramolecular interactions in a trinuclear Cd(II) and a heteronuclear Cd(II)-Ni(II) complex and experimental evidence for preferential site selection of the ligand by 3d and 4d metal ions.", "Rsc Advances", Volum 6, Pàgines 39376-39386, 2016. Article.
  • Bhowmik, P.; Das, L. K.; Bauzá, A.; Chattopadhyay, S.; Frontera, A.; Ghosh, A., "Anion dependent supramolecular architectures in Cu(II) complexes containing N2O-donor Schiff-base and 4,4′-bipyridine ligands: Structural analyses and theoretical studies", "Inorganica Chimica Acta", Volum 448, Pàgines 26-33, 2016. Article.
  • Barman, N.; Banerjee, S.; Brandão, P.; Bauzá, A.; Frontera, A.; Saha, A., "Anion dependent structural diversity of cadmium(II) complexes: Synthesis, crystal structures, luminescence properties and unusual C-H/σ supramolecular interactions involving σ-aromatic M2X2 cores", "Journal of Coordination Chemistry", Volum 69, Pàgines 1188-1205, 2016. Article.
  • Ghosh, K.; Banerjee, A.; Roy, S.; Bauzá, A.; Frontera, A.; Chattopadhyay, S., "A combined experimental and theoretical study on supramolecular assemblies in octahedral cobalt(III) salicylaldimine complexes having pendant side arms", "Polyhedron", Volum 112, Pàgines 86-95, 2016. Article.
  • Bauza, A.; Frontera, A, "RCH3···O Interactions in Biological Systems: Are They Trifurcated H-Bonds or Noncovalent Carbon Bonds?", "Crystals", Volum 6, Pàgines 26, 2016. Article.
  • Bauza, A.; Mooibroek, T. J.; Frontera, A, "σ-Hole opposite to a lone pair: unconventional pnicogen bonding interactions between ZF3 (Z = N, P, As and Sb) compounds and several donors", "Chemphyschem", Volum 17, Pàgines 1608-1614, 2016. Article.
  • Ghosh, K.; Roy, S.; Ghosh, A.; Banerjee, A.; Bauzá, A.; Frontera, A.; Chattopadhyay, S., "Three mononuclear octahedral cobalt(III) complexes with salicylaldimine Schiff bases: Synthesis, characterization, phenoxazinone synthase mimicking activity and DFT study on supramolecular interactions", "Polyhedron", Volum 112, Pàgines 6-17, 2016. Article.
  • Subrata Jana, S.; Chandra Santra, R.; Frontera, A.; Drew, M. G. B.; Ortega-Castro, J.; Fernández, D.; Das, S.; Chattopadhyay, S., "Copper(II) pseudohalide complexes with isomeric N2O donor Schiff base ligands: Synthesis, characterization and molecular dynamics simulations of interactions with DNA", "Chemistryselect", Volum 1, Número 3, Pàgines 448-455, 2016. Article.
  • Hazari, A.; Das, L.K.; Bauza, A.; Frontera, A.; Ghosh, A., "Exploring the coordinative adaptation and molecular shapes of the trinuclear CuII2MII (M = Zn/Cd) complexes derived from salen type Schiff bases: Structural and theoretical studies", "Dalton Transactions", Volum 45, Pàgines 5730-5740, 2016. Article.
  • Mahmoudi, G.; Bauza, A.; Frontera, A., "Concurrent Agostic and Tetrel bonding interactions in Lead(II) complexes with a isonicotinohydrazide based ligand and several anions.", "Dalton Transactions", Volum 45, Pàgines 4965-4969, 2016. Article.
  • Bauza, A.; T. J. Mooibroek, Frontera, A, "Tetrel bonding interactions", "Chemical Record", Volum 16, Pàgines 473-487, 2016. Review.
  • Mahapatra, T. S.; Bauzá, A.; Dutta, D.; Mishra, S.; Frontera, A.; Ray, D., "Carboxylate Coordination Assisted Aggregation for Quasi-Tetrahedral and Partial-Dicubane [Cu4] Coordination Clusters", "Chemistryselect", Volum 1, Pàgines 64-75, 2016. Article.
  • Mahmoudi, G.; Castineiras, A.; Bauza, A.; Garczarek, P.; Rheingold, A. L.; Kinzhybalo, V.; Frontera, A, "Synthesis, X-ray characterization, DFT calculations and Hirshfeld surface analysis of M(n+) ions (n = 2,3; M = Ni, Cd, Mn, Co and Cu): The role of secondary bonding and steric effects in complexes based on thiosemicarbazone", "Crystengcomm", Volum 18, Pàgines 1009-1023, 2016. Article.
  • Abedi, M.; Zafer Ye?ilel, O.; Mahmoudic, G.; Bauzá, A.; Lofland, S. E.; Yerli, Y.; Kaminsky, W.; Garczarek, P.; Zar?ba, J. K.; Ienco, A.; Frontera, A.; Servati Gargari, M, "Tetranuclear manganese(II) complexes of hydrazone and carbohydrazone ligands: Synthesis, crystal structures, magnetic properties, Hirshfeld surface analysis and DFT calculations", "Inorganica Chimica Acta", Volum 443, Pàgines 101-109, 2016. Article.
  • Bauza, A.; T. J. Mooibroek, Frontera, A, "1,1,2,2-tetracyanocyclopropane (TCCP) as supramolecular synthon", "Physical Chemistry Chemical Physics", Volum 18, Pàgines 1693-1698, 2016. Article.
  • Taleghani, S.; Mirzaei, M.; Eshtiagh-Hosseini, H.; Frontera A, "Tuning the topology of hybrid inorganic organic materials based on the study of flexible ligands and negative charge of polyoxometalates: A crystal engineering perspective", "Coordination Chemistry Reviews", Volum 309, Pàgines 84-106, 2016. Review.
  • Roy, S.; Bauza, A.; Frontera, A.; Schaper, F.; Banik, R.; Purkayastha, A.; Reddy, B. M.; Sridhar, B.; Drew, M. G. B.; Das, S. K.; Das, S., "Structural diversity and non-covalent interactions in Cd (II) and Zn (II) complexes derived from 3, 5-dinitrobenzoic acid and pyridine: Experimental and theoretical aspects", "Inorganica Chimica Acta", Volum 440, Pàgines 38-47, 2016. Article.
  • Bauza, A.; Mooibroek, T. J.; Frontera, A, "Towards design strategies for anion π interactions in crystal engineering", "Crystengcomm", Volum 18, Pàgines 10-23, 2016. Review.
  • Clotilde Marín; Marta Ximenis; Inmaculada Ramirez-Macías; Carmen Rotger; Kristina Urbanova; Francisco Olmo;Rubén Martín-Escolano; María José Rosales; Rocio Cañas; Ramón Gutierrez-Sánchez; Antonio Costa; Manuel Sánchez-Moreno, "Effective anti-leishmanial activity of minimalist squaramide-based compounds", "Experimental Parasitology", Volum 170, Pàgines 36-49, 2016. Article.
  • Elena Sanna; Eduardo C. Escudero-Adán; Carlos López; Pablo Ballester; Carmen Rotger and Antonio Costa, "Macrocyclic Tetraimines: Synthesis and Reversible Uptake of Diethyl Phthalate by a Porous Macrocycle", "Journal of Organic Chemistry", 2016. Article.
  • Bauzá, A.; Terrón, A.; Barceló-Oliver, M.; García-Raso, A.; Frontera, A., "On the importance of antiparallel C=O···C F interactions in N1-(3-hydroxypropyl)-5-fluorouracilate Hg(II) complex: A combined X-ray and DFT study", "Inorganica Chimica Acta", Volum 452, Pàgines 244-250, 2016. Article.