0000000001302146
AUTHOR
Antonio Bauzá
showing 32 related works from this author
Effect of temperature and ligand protonation on the electronic ground state in Cu( ii ) polymers having unusual secondary interactions: a magnetic an…
2018
International audience; Two new copper(II) polymeric complexes, {[Cu(HPymat)(H2O)](NO3)}n (1) and [Cu2(Pymat)2(H2O)3]n (2), have been synthesized using the Schiff base ligand H2Pymat [H2Pymat = (E)-2-(1-(pyridin-2-yl)-methyleneamino)terephthalic acid]. Complex 1 is a cationic 1D polymer, whereas complex 2 is a two dimensional polymer. Both complexes were crystallographically, spectroscopically and magnetically characterized. Theoretical studies were performed and the catecholase activity of the complexes was also examined. Complex 1 is a ferromagnetically coupled complex with J = 2.8 cm−1 and 2 shows antiferromagnetic coupling with J = −1.6 cm−1. Both complexes show notable features in the …
Synthesis, structure, physicochemical characterization and theoretical evaluation of non-covalent interaction energy of a polymeric copper(II)-hydraz…
2019
Abstract One dimensional polymeric copper-hydrazone complex {[Cu(H0.5L)(µ1,3-SCN)]0.5ClO4·0.5MeOH}n (1) has been synthesized with Cu(ClO4)2·xH2O and N'-(1-(pyridin-2-yl)ethylidene)acetohydrazide (HL) in presence of NaSCN. The ligand and the complex have been characterized by several spectroscopic techniques (IR, UV–Vis and EPR), cyclic voltammetry and the structure of 1 has been determined by single crystal X-ray diffraction. The complex is an infinite one dimensional polymer bridged by thiocyanate. The magneto-structural correlation has been determined and the non-covalent interactions present in the molecule have been energetically evaluated by means of DFT calculations.
Reversible switching of the electronic ground state in a pentacoordinated Cu(ii) complex.
2013
International audience; An easy reversible switching of the electronic ground state in a pentacoordinated copper(ii) complex is reported for the first time. The simple protonation of a carboxylic group in a Cu(ii) complex with a {dx(2)-y(2)}(1) electronic configuration leads to a flip of the ground electronic configuration from {dx(2)-y(2)}(1) to {dz(2)}(1) in the metal ion.
Magneto-structural and theoretical study of the weak interactions in a Mn(II) complex with a very unusual N,O-chelating coordination mode of 2-aminot…
2017
International audience; The Mn(II) complex {[Mn(atpa)(H2O)2]·H2O}n (1),with the dicarboxylate ligand 2-aminoterephthalic acid (H2atpa), has been synthesized and crystallographically, spectroscopically and magnetically characterized. Complex 1 shows a very unusual 1κ2N,O coordination mode of the aminoterephthalate dianion with the Mn(II) ion. One of the carboxylate groups shows a syn-anti-μ2-η1:η1 binding mode to form a 2D square grid. The magnetic properties of this compound can be very well reproduced with a regular S = 5/2 chain model with a very weak antiferromagnetic coupling constant of J = −0.2 cm−1 through the single syn-anti carboxylate bridges. EPR measurement also supports the exp…
Exploiting 1,4-naphthoquinone and 3-iodo-1,4-naphthoquinone motifs as anion binding sites by hydrogen or halogen-bonding interactions
2019
We describe here the utilization of 1,4-naphthoquinone and 3-iodo-1,4-naphthoquinone motifs as new anion binding sites by hydrogen- or halogen-bonding interactions, respectively. These binding sites have been integrated in bidentate ester based receptors. Emission experiments reveal that both receptors selectively recognize sulfate anions, which induced a remarkable increase of a new emission band attributed to the formation of π-stacking interactions between two 1,4-naphthoquinone units. Absorption spectroscopy and mass spectrometry indicate the disruption of the ester group of the 1,4-naphthoquinone based receptor in the presence of HP2O73−, H2PO4−, F−, AcO− and C6H5CO2− and in the haloge…
Two Polymorphic Forms of a Six-Coordinate Mononuclear Cobalt(II) Complex with Easy-Plane Anisotropy: Structural Features, Theoretical Calculations, a…
2016
A mononuclear cobalt(II) complex [Co(3,5-dnb)2(py)2(H2O)2] {3,5-Hdnb = 3,5-dinitrobenzoic acid; py = pyridine} was isolated in two polymorphs, in space groups C2/c (1) and P21/c (2). Single-crystal X-ray diffraction analyses reveal that 1 and 2 are not isostructural in spite of having equal formulas and ligand connectivity. In both structures, the Co(II) centers adopt octahedral {CoN2O4} geometries filled by pairs of mutually trans terminal 3,5-dnb, py, and water ligands. However, the structures of 1 and 2 disclose distinct packing patterns driven by strong intermolecular O-H···O hydrogen bonds, leading to their 0D→2D (1) or 0D→1D (2) extension. The resulting two-dimensional layers and one-…
Copper-Assisted Hemiacetal Synthesis: A Cu II Chain Obtained by a One-Step in situ Reaction of Picolinaldehyde
2014
International audience; The 1D polymer complex [Cu2(L)2(SCN)2]n (1 ) has been synthesised in a one‐step in situ reaction of picolinaldehyde with sodium thiocyanate. The complex 1 was characterised by FTIR spectroscopy, UV/Vis spectrophotometry and elemental analysis. The crystal structure of complex 1 shows that chains of dimer complexes are formed with tetra‐ and pentacoordinate copper centres alternately linked by one thiocyanato and two alkoxido bridges. Variable‐temperature magnetic measurements showed a strong antiferromagnetic interaction between the copper centres within the dimer mediated by the two alkoxido bridges with a J value of –374 cm–1, which is in agreement with the DFT‐cal…
Short X···N Halogen Bonds With Hexamethylenetetraamine as the Acceptor
2021
Hexamethylenetetramine (HMTA) and N-haloimides form two types of short (imide)X···N and X–X···N (X = Br, I) halogen bonds. Nucleophilic substitution or ligand-exchange reaction on the peripheral X of X–X···N with the chloride of N-chlorosuccinimide lead to Cl–X···N halogen-bonded complexes. The 1:1 complexation of HMTA and ICl manifests the shortest I···N halogen bond [2.272(5) Å] yet reported for an HMTA acceptor. Two halogen-bonded organic frameworks are prepared using 1:4 molar ratio of HMTA and N-bromosuccinimide, each with a distinct channel shape, one possessing oval and the other square grid. The variations in channel shapes are due to tridentate and tetradentate (imide)Br···N coordi…
Observation of novel oxygen⋯oxygen interaction in supramolecular assembly of cobalt(III) Schiff base complexes: a combined experimental and computati…
2015
Two mononuclear cobalt(III) Schiff base complexes with azide [Co(L)(N3)(L0 )] (1) and [Co(L)(N3)(L00)] (2) {where HL ¼ 1-((2-(diethylamino)ethylimino)methyl)naphthalene-2-ol, HL0 ¼ 2-hydroxy-1-naphthaldehyde and HL00 ¼ acetylacetone} have been synthesized and characterized by elemental analysis, IR and UV-Vis spectroscopy and single crystal X-ray diffraction studies. Both complexes show mononuclear structures with azide as terminal coligand. Structural features have been examined in detail that reveal the formation of interesting supramolecular networks generated through non-covalent forces including hydrogen bonding, C–H/H–C and C–H/p interactions. These interactions have been studied ener…
Molecular recognition of nucleotides in water by scorpiand-type receptors based on nucleobase discrimination.
2014
Abstract: The detection of nucleotides is of crucial impor-tance because they are the basic building blocks of nucleicacids. Scorpiand-based polyamine receptors functionalizedwith pyridine or anthracene units are able to form stablecomplexes with nucleotides in water, based on coulombic,p–p stacking, and hydrogen-bonding interactions. This be-havior has been rationalized by means of an explorationwith NMR spectroscopy and DFT calculations. Binding con-stants were determined by potentiometry. Fluorescencespectroscopy studies have revealed the potential of these re-ceptors as sensors to effectively and selectively distinguishguanosine-5’-triphosphate (GTP) from adenosine-5’-triphos-phate (ATP…
CCDC 2041029: Experimental Crystal Structure Determination
2021
Related Article: Goulielmina Anyfanti, Antonio Bauzá, Lorenzo Gentiluomo, João Rodrigues, Gustavo Portalone, Antonio Frontera, Kari Rissanen, Rakesh Puttreddy|2021|Frontiers in Chemistry|9||doi:10.3389/fchem.2021.623595
CCDC 2041028: Experimental Crystal Structure Determination
2021
Related Article: Goulielmina Anyfanti, Antonio Bauzá, Lorenzo Gentiluomo, João Rodrigues, Gustavo Portalone, Antonio Frontera, Kari Rissanen, Rakesh Puttreddy|2021|Frontiers in Chemistry|9||doi:10.3389/fchem.2021.623595
CCDC 2041027: Experimental Crystal Structure Determination
2021
Related Article: Goulielmina Anyfanti, Antonio Bauzá, Lorenzo Gentiluomo, João Rodrigues, Gustavo Portalone, Antonio Frontera, Kari Rissanen, Rakesh Puttreddy|2021|Frontiers in Chemistry|9||doi:10.3389/fchem.2021.623595
CCDC 2041025: Experimental Crystal Structure Determination
2021
Related Article: Goulielmina Anyfanti, Antonio Bauzá, Lorenzo Gentiluomo, João Rodrigues, Gustavo Portalone, Antonio Frontera, Kari Rissanen, Rakesh Puttreddy|2021|Frontiers in Chemistry|9||doi:10.3389/fchem.2021.623595
CCDC 1915911: Experimental Crystal Structure Determination
2019
Related Article: Encarnación Navarro-García, María D. Velasco, Fabiola Zapata, Antonio Bauzá, Antonio Frontera, Carmen Ramírez de Arellano, Antonio Caballero|2019|Dalton Trans.|48|11813|doi:10.1039/C9DT02012H
CCDC 2041026: Experimental Crystal Structure Determination
2021
Related Article: Goulielmina Anyfanti, Antonio Bauzá, Lorenzo Gentiluomo, João Rodrigues, Gustavo Portalone, Antonio Frontera, Kari Rissanen, Rakesh Puttreddy|2021|Frontiers in Chemistry|9||doi:10.3389/fchem.2021.623595
CCDC 1047382: Experimental Crystal Structure Determination
2015
Related Article: Mithun Das, Biswa Nath Ghosh, Antonio Bauzá, Kari Rissanen, Antonio Frontera, Shouvik Chattopadhyay|2015|RSC Advances|5|73028|doi:10.1039/C5RA13960K
CCDC 1544334: Experimental Crystal Structure Determination
2018
Related Article: Dipali Sadhukhan, Monami Maiti, Antonio Bauzá, Antonio Frontera, Eugenio Garribba, Carlos J. Gomez-García|2019|Inorg.Chim.Acta|484|95|doi:10.1016/j.ica.2018.09.031
CCDC 1915912: Experimental Crystal Structure Determination
2019
Related Article: Encarnación Navarro-García, María D. Velasco, Fabiola Zapata, Antonio Bauzá, Antonio Frontera, Carmen Ramírez de Arellano, Antonio Caballero|2019|Dalton Trans.|48|11813|doi:10.1039/C9DT02012H
CCDC 2041018: Experimental Crystal Structure Determination
2021
Related Article: Goulielmina Anyfanti, Antonio Bauzá, Lorenzo Gentiluomo, João Rodrigues, Gustavo Portalone, Antonio Frontera, Kari Rissanen, Rakesh Puttreddy|2021|Frontiers in Chemistry|9||doi:10.3389/fchem.2021.623595
CCDC 2041031: Experimental Crystal Structure Determination
2021
Related Article: Goulielmina Anyfanti, Antonio Bauzá, Lorenzo Gentiluomo, João Rodrigues, Gustavo Portalone, Antonio Frontera, Kari Rissanen, Rakesh Puttreddy|2021|Frontiers in Chemistry|9||doi:10.3389/fchem.2021.623595
CCDC 2041032: Experimental Crystal Structure Determination
2021
Related Article: Goulielmina Anyfanti, Antonio Bauzá, Lorenzo Gentiluomo, João Rodrigues, Gustavo Portalone, Antonio Frontera, Kari Rissanen, Rakesh Puttreddy|2021|Frontiers in Chemistry|9||doi:10.3389/fchem.2021.623595
CCDC 2041019: Experimental Crystal Structure Determination
2021
Related Article: Goulielmina Anyfanti, Antonio Bauzá, Lorenzo Gentiluomo, João Rodrigues, Gustavo Portalone, Antonio Frontera, Kari Rissanen, Rakesh Puttreddy|2021|Frontiers in Chemistry|9||doi:10.3389/fchem.2021.623595
CCDC 933880: Experimental Crystal Structure Determination
2014
Related Article: Piu Dhal, Ashok Sasmal, Carlos J. Gómez-García, Antonio Bauzá, Antonio Frontera, Guillaume Pilet, Samiran Mitra|2014|Eur.J.Inorg.Chem.||3271|doi:10.1002/ejic.201402176
CCDC 1051564: Experimental Crystal Structure Determination
2015
Related Article: Sandeepta Saha, Chirantan Roy Choudhury, Carlos J. Gómez-García, Eugenio Garribba, Antonio Bauzá, Antonio Frontera, Guillaume Pilet, Samiran Mitra|2017|Inorg.Chim.Acta|461|183|doi:10.1016/j.ica.2017.02.016
CCDC 2041024: Experimental Crystal Structure Determination
2021
Related Article: Goulielmina Anyfanti, Antonio Bauzá, Lorenzo Gentiluomo, João Rodrigues, Gustavo Portalone, Antonio Frontera, Kari Rissanen, Rakesh Puttreddy|2021|Frontiers in Chemistry|9||doi:10.3389/fchem.2021.623595
CCDC 2041020: Experimental Crystal Structure Determination
2021
Related Article: Goulielmina Anyfanti, Antonio Bauzá, Lorenzo Gentiluomo, João Rodrigues, Gustavo Portalone, Antonio Frontera, Kari Rissanen, Rakesh Puttreddy|2021|Frontiers in Chemistry|9||doi:10.3389/fchem.2021.623595
CCDC 2041022: Experimental Crystal Structure Determination
2021
Related Article: Goulielmina Anyfanti, Antonio Bauzá, Lorenzo Gentiluomo, João Rodrigues, Gustavo Portalone, Antonio Frontera, Kari Rissanen, Rakesh Puttreddy|2021|Frontiers in Chemistry|9||doi:10.3389/fchem.2021.623595
CCDC 2041023: Experimental Crystal Structure Determination
2021
Related Article: Goulielmina Anyfanti, Antonio Bauzá, Lorenzo Gentiluomo, João Rodrigues, Gustavo Portalone, Antonio Frontera, Kari Rissanen, Rakesh Puttreddy|2021|Frontiers in Chemistry|9||doi:10.3389/fchem.2021.623595
CCDC 1047381: Experimental Crystal Structure Determination
2015
Related Article: Mithun Das, Biswa Nath Ghosh, Antonio Bauzá, Kari Rissanen, Antonio Frontera, Shouvik Chattopadhyay|2015|RSC Advances|5|73028|doi:10.1039/C5RA13960K
CCDC 2041030: Experimental Crystal Structure Determination
2021
Related Article: Goulielmina Anyfanti, Antonio Bauzá, Lorenzo Gentiluomo, João Rodrigues, Gustavo Portalone, Antonio Frontera, Kari Rissanen, Rakesh Puttreddy|2021|Frontiers in Chemistry|9||doi:10.3389/fchem.2021.623595
CCDC 2041021: Experimental Crystal Structure Determination
2021
Related Article: Goulielmina Anyfanti, Antonio Bauzá, Lorenzo Gentiluomo, João Rodrigues, Gustavo Portalone, Antonio Frontera, Kari Rissanen, Rakesh Puttreddy|2021|Frontiers in Chemistry|9||doi:10.3389/fchem.2021.623595