Química supramolecular (SUPRAMOL)
Publicacions en revistes
- Roy, M.; Bauza, A.; Frontera, A.; Banerjee, S.; Halder, S.; Saha, A., "An experimental and computational investigations of supramolecular anion-π/π-π/π-anion assemblies in mononuclear Zn(II) complexes with a versatile tetradentate N-donor Schiff base ligand", "Polyhedron", 2015. Article.
- Das, D.; Chakraborty, P.; Adhikary, J.; Samanta, S.; Majumder, I.; Massera, C.; Escudero, D.; Ghosh, S.; Bauza, A.; Frontera, A., "Influence of para substituents in controlling photophysical behavior and different non-covalent weak interactions in zinc complexes of a phenol based "End-off" compartmental ligand", "Dalton Transactions", 2015. Article.
- Chakraborty, P.; Purkait, S.; Mondal S.; Bauzá, A.; Frontera, A.; Massera, C.; Das D., "Exploration of CHπ interactions involving the π-system of pseudohalide coligands in metal complexes of a Schiff-base ligand", "Crystengcomm", 2015. Article.
- Panja A.; Jana, N. Ch.; Patra M.; Brandao, P.; Moore, C. E.; Eichhorn, D. M.; Frontera, A, "Valence tautomerism induced nucleophilic ipso substitution in a coordinated tetrabromocatecholate ligand and diverse catalytic activity mimicking the function of phenoxazinone synthase", "Journal of Molecular Catalysis A-Chemical", Volum 412, Pàgines 56-66, 2015. Article.
- Y. Lagos; J. Palou-Mir; A. Bauzá; J.J. Fiol; Á. García-Raso; À. Terrón; E. Molins; M. Barceló-Oliver; A. Frontera, "New chloride-dimethylsulfoxide-iridium(III) complex with histaminium", "Polyhedron", Volum 102, Pàgines 735-740, 2015. Article.
- Mirzaei, M.; Eshtiagh-Hosseini, H.; Bazargan, M.; Mehrzad, F.; Shahbazi, M.; Mague, J. T.; Bauzá, A.; Frontera, A., "Two new copper and nickel complexes of pyridine-2,6-dicarboxylic acid N-oxide and their proton transferred salts: Solid state and DFT insights", "Inorganica Chimica Acta", Volum 438, Pàgines 135-145, 2015. Article.
- Roy, S.; Dey, A.; Ray, P.P.; Ortega-Castro, J.; Frontera, A.; Chattopadhyay, S., "Application of a novel 2D cadmium(II)-MOF in the formation of a photo-switch with substantial on off ratio", "Chemical Communications", Pàgines 12974-12976, 2015. Article.
- Fernández-Pérez, H.; Mon, I.; Frontera, A.; Vidal-Ferran, A., "Enantiopure bisphosphine ligands with appended crown ether groups as regulation sites for Rh-mediated hydrogenations", "Tetrahedron", 2015. Article.
- Elena Sanna; Eduardo C. Escudero-Adán; Antonio Bauzá; Pablo Ballester, Antonio Frontera; Carmen Rotger; Antonio Costa*, "A crystalline sponge based on dispersive forces suitable for X-ray structure determination of included molecular guests", "Chemical Science", Volum 6, Número 10, Pàgines 5466-5472, 2015. Article.
- Mahmoudi, G.; Bauza, A.; Rodriguez-Dieguez, A.; Garczarek, P.; Kaminsky, W.; Frontera, A., "Synthesis, X-ray Characterization, DFT Calculations and Hirshfeld Surface Analysis Studies of carbohydrazone based on Zn(II) complexes", "Crystengcomm", Volum 18, Pàgines 102-112, 2015. Review.
- Servati Gargari, M.; Stilinovic, V.; Bauza, A.; Frontera, A.; McArdle, P.; Van Derveer, D.; Ng, S. W.; Mahmoudi, G., "Design of Lead(II) Metal Organic Frameworks Based on Covalent and Tetrel Bonding
", "Chemistry-A European Journal", Volum 21, Pàgines 17951-17958, 2015. Article. - Servati-Gargari, M.; Seth, S. K.; LaDuca, R. L.; Yesilel, O. Z.; Pochodylo, A.; Bauzá, A.; Jana, B. C.; Arslan, T.; Frontera, A.; Mahmoudi, G., "Solvent-controlled construction of manganese(II) complexes with 4-acetylpyridine nicotinoylhydrazone ligand", "Inorganica Chimica Acta", Volum 438, Pàgines 220-231, 2015. Article.
- Bauza, A.; Frontera, A, "Theoretical study on the dual behaviour of XeO3 and XeF4 toward aromatic rings: Lone pair-pi vs Aerogen-pi interactions", "Chemphyschem", Volum 16, Pàgines 3625-3630, 2015. Article.
- Bauza, A.; Frontera, A., "Competition between Halogen Bonding and π-?Hole Interactions Involving Various Donors: The Role of Dispersion Effects", "Chemphyschem", Volum 16, Pàgines 3108-3113, 2015. Article.
- Bhattacharyya, A.; Bhaumik, P.K.; Das, M.; Bauzá, A.; Jana, P.P.; Harms, K.; Frontera, A.; Chattopadhyay, S., "Synthesis, structure, magnetic property and self-assembly of two double end-on azide bridged ferromagnetic nickel (II) complexes with distinct bidentate blocking ligands: A combined experimental and theoretical study", "Polyhedron", Volum 101, Pàgines 257-269, 2015. Article.
- Das, M.; Ghosh, B. N.; Bauzá, A.; Rissanen, K.; Frontera, A.; Chattopadhyay, S., "Observation of novel oxygen? oxygen interaction in supramolecular assembly of cobalt (iii) Schiff base complexes: a combined experimental and computational study-", "Rsc Advances", Volum 5, Pàgines 73028-73039, 2015. Article.
- Mirzaei, M.; Eshtiagh-Hosseini, H.; Shamsipur, M.; Saeedi, M.; Ardalani, M.; Bauza, A.; Mague, J. T.; Frontera, A.; Habibi, M., "Importance of polarization assisted/resonance assisted hydrogen bonding interactions and unconventional interactions in crystal formations of five new complexes bearing chelidamic acid through proton transfer mechanism", "Rsc Advances", Volum 5, Pàgines 72923-72936, 2015. Article.
- Bauza, A.; Frontera, A., "pi-hole aerogen bonding interactions", "Physical Chemistry Chemical Physics", Volum 17, Pàgines 24748-24753, 2015. Article.
- Murcia, C.; Bauzá, A.; Frontera, A.; Streubel, R., "On the nature of M
CO(lone pair)···p(arene) interactions in the solid state of fluorinated oxaphosphirane complexes", "Crystengcomm", Volum 17, Pàgines 6736-6743, 2015. Article. - Eftekhar, M.; Mirzaei, M.; Hassanpoor, A.; Khosravi, I.; Bauza, A.; Mague, J. T.; Frontera, A., "The first mixed-ligand coordination compound involving 8-aminoquinoline and pyridine-2,6-dicarboxylic ligands: Synthesis, X-ray crystal structure and DFT studies", "Journal of Coordination Chemistry", Volum 68, Pàgines 3599-3610, 2015. Article.
- Banik, R.; Roy, S.; Bauza, A.; Frontera, A.; Rodríguez-Diéguez, A.; Salas, J.M.; Kirillov, A.M.; Chowdhury, S.; Das, S.Kr.; Das, S., "Supramolecular interactions through lone pair(lp)-π and hydrogen bonding in cobalt(III) and manganese(II) derivatives of N,N'-dimethylvioluric acid: A combined experimental and theoretical study", "Inorganica Chimica Acta", Volum 435, Pàgines 178-186, 2015. Article.
- Bauza, A.; Mooibroek, T. J.; Frontera, A., "The bright future of unconventional s/p-hole interactions", "Chemphyschem", 2015. Review.
- Cañellas, S.; Bauza, A.; Lancho, A.; Garcia-Raso, A.; Fiol, J.J.; Molins, M.; Ballester, P. y Frontera, A., "Synthesis, X-ray Characterization and DFT Studies of N-benzimidazolyl-pyrimidine
M(II) complexes (M = Cu, Co and Ni): the prominent role of pi-hole and anion-pi interactions", "Crystengcomm", Volum 17, Número 31, Pàgines 5987-5997, 2015. Article. - Vidal-Ferran, A.; Mon, I.; Bauza, A.; Frontera, A.; Rovira, L., "Supramolecularly Regulated Ligands for Asymmetric Hydroformylations and Hydrogenations", "Chemistry-A European Journal", Volum 21, Pàgines 11417-11426, 2015. Article.
- Escudero-Adán, E.C.; Bauza, A.; Frontera, A.; Ballester, P., "The Nature of Non-Covalent Carbon Bonding Interaction Derived from Experimental Charge-Density Analysis", "Chemphyschem", 2015. Article.
- Lucas, Xavier.; Bauzá Riera, Antonio; Frontera Beccaria, Antonio; Quiñonero Santiago, David, "A thorough anion¿π interaction study in biomolecules: on the importance of cooperativity effects", "Chemical Science", Volum 2016, Número 7, Pàgines 1038-1050, 2015. Article.
- A. Frontera: A. Bauzá, "Unveiling NO2···C=C π-hole interactions: A combined computational and crystallographic study", "Chemical Physics Letters", Volum 633, Pàgines 282-286, 2015. Article.
- Bhaumik, P. K.; Bauza, A.; Frontera, A.; Chattopadhyay, S., "Syntheses, crystal structures and density functional theoretical investigations of copper(II) complexes bearing tridentate Schiff base ligands derived from 8-aminoquinoline", "Crystengcomm", Volum 17, Pàgines 5664-5671, 2015. Article.
- Mirzaei, M.; Nikpour, M.; Bauzá, A.; Frontera, A., "On the Importance of C
H/pi and C
H⋅⋅⋅H
C Interactions in the Solid State Structure of 15-Lipoxygenase Inhibitors Based on Eugenol Derivatives", "Chemphyschem", Volum 16, Pàgines 2260-2266, 2015. Article. - Pal, P.; Konar, S.; Salah-El Fallah, M.; Das, K.; Bauza, A.; Frontera, A. y Mukhopadhyay, S., "Synthesis, crystal structures, magnetic properties and DFT calculations of nitrate and oxalate complexes with 3,5 dimethyl-1-(2?-pyridyl)-pyrazole-Cu(II)", "Rsc Advances", Volum 5, Pàgines 45082-45091, 2015. Article.
- Bauzá, A.; Frontera, A., "Aerogen Bonding Interaction: A New Supramolecular Force?", "Angewandte Chemie-International Edition", Volum 54, Pàgines 7340-7343, 2015. Article.
- Bauzá, A.; Quiñonero, D.; Frontera, A.; P. Ballester, "Reconciling Experiment and Theory in the Use of Aryl-Extended Calix[4]pyrrole Receptors for the Experimental Quantification of Chloride
pi Interactions in Solution", "International Journal Of Molecular Sciences", Volum 16, Pàgines 8934-8948, 2015. Article. - Pait, M.; Bauza, A.; Frontera, A.; Colacio, E.; Ray, D., "A New Family of Ni4 and Ni6 Aggregates from Self-Assembly of [Ni2] Building Units: Role of Carboxylate and Carbonate Bridges", "Inorganic Chemistry", Volum 54, Pàgines 4709-4723, 2015. Article.
- Roy, S.; Bauza, A.; Frontera, A.; Banik, R.; Purkayastha, A.; Drew, M.G.B.; Reddy, B.M.; Sridhar, B.; Das, S.K.; Das, S., "Experimental observation and theoretical investigation on a novel Cd(II) complex with π-hole interaction involving nitro groups", "Crystengcomm", Volum 17, Pàgines 3912-3916, 2015. Article.
- Bauzá, A.; Frontera, A.; Mooibroek,T. J.; Reedijk, J., "The N-atom in [N(PR3)2]+ cations (R = Ph, Me) can act as electron donor for (pseudo) anti-electrostatic interactions", "Crystengcomm", Volum 17, Pàgines 3768-3771, 2015. Article.
- Mirzaei, M.; Eshtiagh-Hosseini, H.; Alipour, M.; Bauza, A.; Mague, J. T.; Korabik, M.; Frontera, A., "Hydrothermal synthesis, X
ray structure and DFT and magnetic studies of a novel (H2SiW12O40)2
based one
dimensional linear coordination polymer via in situ transformation of pyridine
2,3
dicarboxylic acid into nicotinic and 2
hydroxynicotinic acids", "Dalton Transactions", Volum 44, Pàgines 8824-8832, 2015. Article. - Mahmoudi, G.; Stilinovic, V.; Servati-Gargari, M.; Bauza, A.; Zaragoza, G.; Kaminsky, W.; Lynch, V.; Choquesillo-Lazarte, D.; Kandasamy, S.; Khandar, A.; Frontera, A., "From Monomers to Polymers: Steric and Supramolecular Effects on Dimensionality of Coordination Architectures in Heteroleptic Mercury(II) Halogenide
Tetradentate Schiff Base Complexes", "Crystengcomm", Volum 17, Pàgines 3493-3502, 2015. Article. - Sadhukhan, D.; Maiti, M.; Pilet, G.; Bauzá, A.; Frontera, A.; Mitra, S., "Hydrogen Bond, pi
pi, and CH
pi Interactions Governing the Supramolecular Assembly of Some Hydrazone Ligands and Their Mn(II) Complexes
Structural and Theoretical Interpretation", "European Journal of Inorganic Chemistry", Volum 2015, Pàgines 1958-1972, 2015. Article. - Pait, M.; Shatruk, M.; Lengyel, J.; Gómez-Coca, S.; Bauzá, A.; Frontera, A.; Bertolasi, V.; Ray, D., "Two Types of Nitrito Support for μ4-Oxido-Bridged [Cu4] Complexes: Synthesis, Crystal Structures, Magnetic Properties and DFT Analysis", "Dalton Transactions", Volum 44, Pàgines 6107-6117, 2015. Article.
- Mirzaei, M.; Eshtiagh-Hosseini, H.; Bolouri, Z.; Rahmati, Z.; Esmaeilzadeh, A.; Hassanpoor, A.; Bauza, A.; Ballester, P.; Barcelo-Oliver, M.; Mague, J. T.; Notash, B.; Frontera, A., "Rationalization of noncovalent interactions within six new MII/8-aminoquinoline supramolecular complexes (MII = Mn, Cu, and Cd): A combined experimental and theoretical DFT study", "Crystal Growth & Design", Volum 15, Pàgines 1351-1361, 2015. Article.
- Murcia, C.; Bauzá, A.; Frontera, A.; Streubel, R., "Surprising behaviour of M
CO(lone pair)···pi(arene) interactions in the solid state of fluorinated oxaphosphirane complexes", "Crystengcomm", Volum 17, Pàgines 1769-1772, 2015. Article. - Sanna, E.; López, C.; Ballester, P.; Rotger, C.; Costa, A., "Unexpected Squaramide-Induced Cleavage of Benzils: Synthesis and Characterization of Mono-Aroyl Squarimides", "European Journal of Organic Chemistry", Pàgines 7656-7660, 2015. Article.
- Sanna, Elena; Escudero-Adán, Eduardo Carmelo ; Bauzá Riera, Antonio; Ballester Balaguer, Pablo José; Frontera Beccaria, Antonio; Rotger Pons, María del Carmen; Costa Torres, Antonio, "A crystalline sponge based on dispersive forces suitable for X-ray structure determination of included molecular guests", "Chemical Science", Número 6, Pàgines 5466-5472, 2015. Article.
- Luís Martínez; Gabriel Martorell; A?ngel Sampedro; Pablo Ballester; Antoni Costa; Carmen Rotger, "Hydrogen bonded squaramide-based foldable module induces both β- and α?turns in hairpin structures of α?peptides in water", "Organic Letters", Volum 17, Pàgines 2980-2983, 2015. Article.
- Banik, R.; Roy, S.; Bauza, A.; Frontera, A.; Das, S., "Cadmium(II) complexes containing N,N?-dimethylvioluric acid as ligand or counteranion: Synthesis, characterization, crystal structures and DFT study", "Rsc Advances", Volum 5, Pàgines 10826-10836, 2015. Article.
- Hazari, A.; Das, L.K.; Kadam, R.M.; Bauza, A.; Frontera, A.; Ghosh, A., "Unprecedented structural variations in trinuclear mixed valence Co(II/III) complexes derived from a Schiff base and its reduced form: Theoretical studies, pnicogen bonding interactions and catecholase-like activities", "Dalton Transactions", Volum 44, Pàgines 3862-3876, 2015. Article.
- Bauzá, A.; Escudero, D.; Frontera, A.; Streubel, R., "Electronic Structure of N2P2 Four-Membered Rings and the Effect of Their Ligand Coordination to M(CO)5 (Cr, Mo, and W)", "Organometallics", Volum 34, Pàgines 355-360, 2015. Article.
- Mirzaei, M.; Hassanpoor, A.; Eshtiagh-Hosseini, H.; Bauzá, A.; Mague, J.T.; Frontera, A., "A new solvated complex of the uranyl ion (UO22+) with 8-hydroxyquinoline", "Inorganica Chimica Acta", Volum 426, Pàgines 136-141, 2015. Article.
- Jana, S.; Harms, K.; Bauzá, A.; Frontera, A.; Chattopadhyay, S., "Synthesis, structures and DFT study of CuBr based coordination polymers via in situ reduction of copper(II)", "Crystal Growth & Design", Volum 15, Pàgines 257-267, 2015. Article.
- Saha, S.; Sasmal, A.; Choudhury, C.R.; Pilet, G.; Bauzá, A.; Frontera, A.; Chakraborty, S.; Mitra, S., "Synthesis, crystal structure, antimicrobial screening and density functional theory calculation of Nickel (II), Cobalt (II) and Zinc (II) mononuclear Schiff base complexes", "Inorganica Chimica Acta", Volum 425, Pàgines 211-220, 2015. Article.
- Mirzaei, M.; Eshtiagh-Hosseini, H.; Karrabi, Z.; Notash, B.; Bauzá, A.; Frontera, A., "Synthesis, structure and DFT studies of a chelidamic acid based Cu coordination polymer: On the importance of pi-pi interactions and hexameric water cluster", "Journal of Molecular Structure", Volum 1080, Pàgines 30-36, 2015. Article.
- Mirzaei, M.; Eshtiagh-Hosseini, H.; Karrabi, Z.; Notash, B.; Bauzá, A.; Frontera, A.; Habibi, M.; Ardalani, M.; Shamsipur, M., "Synthesis, structure, solution and DFT studies of a pyrazine-bridged binuclear Cu(II) complex: On the importance of noncovalent interactions in the formation of crystalline network", "Journal of Molecular Structure", Volum 1079, Pàgines 78-86, 2015. Article.