A5035267158- X-ray Diffraction in Crystallography
- Crystallization and Solubility Studies
- Synthesis and biological activity
- Crystallography and molecular interactions
- Crystal structures of chemical compounds
- Magnetism in coordination complexes
- Metal complexes synthesis and properties
- Metal-Organic Frameworks: Synthesis and Applications
- Lanthanide and Transition Metal Complexes
- Structural and Chemical Analysis of Organic and Inorganic Compounds
- Multicomponent Synthesis of Heterocycles
- Synthesis and Biological Evaluation
- Ferrocene Chemistry and Applications
- Synthesis and Characterization of Heterocyclic Compounds
- Synthesis and Reactivity of Heterocycles
- Nonlinear Optical Materials Research
- Crystal Structures and Properties
- Organometallic Compounds Synthesis and Characterization
- Synthesis of Organic Compounds
- Photochemistry and Electron Transfer Studies
- Synthesis of heterocyclic compounds
- Chalcogenide Semiconductor Thin Films
- Synthesis and Reactivity of Sulfur-Containing Compounds
- Conducting polymers and applications
- Computational Drug Discovery Methods
University of Antofagasta
2018-2025
Universidad Católica del Norte
2022-2025
Pontificia Universidad Católica de Valparaíso
2015-2021
Multicomponent cyclocondensations of 5-amino-3-methyl-1-phenyl-1H-pyrazole (AMPZ), thiobarbituric acid, and p-formaldehyde under conventional thermal heating or ultrasonic irradiation were studied. Treatment the reaction mixture in ethanol an bath for 3 h produced azocine compound 4b, while same reflux conditions 15 spiro 4a. This work encompasses intricate experimental details, X-ray diffraction measurements, multifaceted computational analyses employing methods such as density functional...
In this manuscript, the synthesis and X-ray characterization of a new spodium bond driven coordination polymer constructed from mercury(<sc>ii</sc>) azide 1,2-bis(pyridin-2-ylmethylene)hydrazine are reported.
We report an unprecedented multicomponent reaction of acetoacetanilide with malononitrile leading to a structurally novel bicyclic product (9) in high yield. The structure has been confirmed by X-ray crystallography and comparative Hirshfeld surface analysis 5-cyano-2-hydroxy-2-methyl-N-phenyl-4-(yridine-4-yl)-6-(thiophen-2-yl)-3,4-dihydro-2H-pyran-3-carboxamide 2, 5-cyano-2-hydroxy-2-methyl-6-oxo-N-phenyl-4-(thiophen-2-yl)piperidine-3-carboxamide 4...
Abstract C 14 H 17 NO 3 , monoclinic, P 2 1 / n (no. 14), a = 11.1445(7) Å, b 8.5442(5) c 14.2503(8) β 97.5684(11)°, V 1345.10(14) Å Z 4, R gt ( F ) 0.0668, wR ref 0.1680, T 296(2) K.
The solar electroflotation (EF) processes using saline electrolytes are today one of the great challenges for development electrochemical devices, due to corrosion problems that generated during operation by being in permanent contact with Cl- ions. This manuscript discloses behavior titanium electrodes a superposition model based on mixed potential theory and evaluation superficial performance Ti operated 4 V/SHE solution 0.5 M NaCl. Additionally provided is an analysis regarding HER, ORR,...
In an attempt to rationalize the search for new potential anti-inflammatory compounds on COX-2 enzyme, we carried out in silico protocol that successfully combines prediction of physicochemical and pharmacokinetic properties, molecular docking, dynamic simulation, free energy calculation. Starting from a small library synthesized previously, it was found 70% analyzed satisfy with associated values principles as key evaluation parameters drug-likeness; all presented good gastrointestinal...
Since their development in the 1930s, Schiff-base complexes have played an important role field of coordination chemistry. Here, we report synthetic, spectral, structural, magnetic and electrochemical studies two new pentacoordinated neutral chloro-iron(III) (3,5) supported by dianionic [N2O2]2− tetradentate ligands unsymmetrically substituted either a pair acceptor (F NO2) or donor (ferrocenyl OCH3) groups. The electron-withdrawing proligand 2 3 5 were prepared good yields (79–86%). Complex...
In the cation of title salt, central thiazolidine ring adopts an envelope conformation. crystal N-H⋯Br hydrogen bonds link components into a bi-dimensional network with cations and anions stacked parallel to plane (101). The molecular structure shows several positional disorders over -CF3 fragments these were modeled. weak intermolecular interactions in are mainly constituted by H⋯F, H⋯π H⋯Br. Hirshfeld surface analysis used verify contributions different interactions.
Different synthetic strategies were used to optimize, obtaining a series of compounds derived from the pyrazole-fused phenanthroline system.
Cooperative action of hydrogen and halogen bonding in the reaction 3-(3,5-di- tert -butyl-4-hydroxyphenyl)-1-phenylprop-2-en-1-one with HCl or HBr alcohol medium under microwave irradiation (20 W, 80 °C, 10 min) allows isolation haloetherification products (2 S ,3 )-3-(3- -butyl-5-chloro-4-hydroxyphenyl)-2-chloro-3-ethoxy-1-phenylpropan-1-one, C 21 H 24 Cl 2 O 3 , )-2-bromo-3-(3- -butyl-5-bromo-4-hydroxyphenyl)-3-methoxy-1-phenylpropan-1-one, 20 22 Br...
Two new d10 metal supramolecular metal–organic frameworks (SMOFs) with general formula [ML2(H2O)2]n (M = Zn, Cd) have been synthetized using the sodium salt of anionic 1-(3,4-dimethylphenyl)-5-methyl-1H-1,2,3-triazole-4-carboxylate ligand (Na+L−). Both SMOFs structurally characterized by single-crystal X-ray diffraction analysis and IR spectroscopy. The compounds are isostructural form aggregates via hydrogen bonds presence less common dihydrogen bonds. Interestingly, they show ionic...
The new compound (CH3NH3)3Tl2Cl9 was synthesized and fully characterized. X-ray photoelectron spectroscopy Raman are consistent with the crystal structure solved by single-crystal diffraction. This is a semiconductor measured band gap of Eg = 2.91 eV. It first thallium-based hybrid perovskite shows remarkably high stability to ambient conditions.
Two Zn(II) coordination polymers (CPs) based on n-methylpyridyltriazole carboxylate semi-rigid organic ligands (n-MPTC), with n = 3 (L1) and 4 (L2), have been prepared at the water n-butanol interphase by reacting Zn(NO3)2·4H2O NaL1 NaL2. This allows us to systematically investigate influence of isomeric positional effect their structures. The were obtained saponification from respective ester precursors ethyl-5-methyl-1-(pyridin-3-ylmethyl)-1H-1,2,3-triazole-4-carboxylate (P1)...
To systematically investigate the influence of positional isomeric effect on structures polymer complexes, we prepared two new polymers containing isomers ethyl 5-methyl-1-(pyridin-3-yl)-1H-1,2,3-triazole-3-carboxylate (L1) and ethyl-5-methyl-1-(pyridin-3-yl)-1H-1,2,3-triazole-4-carboxylate (L2), as well Cd(II) ions. The metal–organic frameworks were determined by a single crystal XRD analysis. compound [Cd(L1)2·4H2O] (1), is hydrogen bond-induced coordination polymer, whereas...
Three complexes of the general formula M{CpFe( η 5 ‐C H 4 CH=N–N=C(S)NH 2 } [where M = Ni II ( 2a ), Pd 2b ) and Zn 2c )] were synthesized with formylferrocene thiosemicarbazone 1 as a bidentate ligand. All compounds characterized using conventional spectroscopic analytical techniques (infrared, 13 C NMR, mass spectrometry elemental analysis). The molecular structure was confirmed by single‐crystal X‐ray analysis. To study photocatalytic activity new 2a–c methylene blue (MB) selected model...