A5041446137- Crystallization and Solubility Studies
- X-ray Diffraction in Crystallography
- Crystallography and molecular interactions
- Magnetism in coordination complexes
- Lanthanide and Transition Metal Complexes
- Metal-Organic Frameworks: Synthesis and Applications
- Metal complexes synthesis and properties
- Supramolecular Chemistry and Complexes
- Crystal structures of chemical compounds
- Carbon dioxide utilization in catalysis
- Inorganic and Organometallic Chemistry
- CO2 Reduction Techniques and Catalysts
- Nonlinear Optical Materials Research
- Photochemistry and Electron Transfer Studies
- Chemical Synthesis and Analysis
- Thermal and Kinetic Analysis
- Molecular Sensors and Ion Detection
- Multicomponent Synthesis of Heterocycles
- Synthesis of Organic Compounds
- biodegradable polymer synthesis and properties
- Traditional and Medicinal Uses of Annonaceae
- Catalysis for Biomass Conversion
- HIV/AIDS drug development and treatment
- Synthesis and Biological Evaluation
- Synthesis and Reactions of Organic Compounds
Instituto Federal Goiano
2021-2024
Royal Society of Chemistry
2024
Centre National pour la Recherche Scientifique et Technique (CNRST)
2024
Universidade Federal de Goiás
2016-2023
Instituto de Física La Plata
2021
Fundação de Apoio a Pesquisa do Estado de Goiás
2017-2021
The reaction of aqueous solutions EuIII, TbIII, and GdIII ions with Na2Hpcpa [H3pcpa = N-(4-carboxyphenyl)oxamic acid] afforded three new isostructural oxamate-containing lanthanide(III) coordination polymers general formula {LnIII2(Hpcpa)3(H2O)5·H2O}n [Ln Eu (1),Tb (2), Gd(3)]. Their structure is made up neutral zigzag chains running parallel to the [101] direction where double syn–syn carboxylate(oxamate)-bridged dilanthanide(III) pairs (Ln1 Ln2) are linked by Hpcpa2– ligands, one them...
We report a novel bright deep-blue-emitting crystal form based on simple cadmium coordination polymer with an impressive external photoluminescence quantum yield of 75.4(9)%.
The complexing ability of copper(II) in solution by the ligand N,N′-2,6-pyridinebis(oxamic acid) (H4mpyba, H4L) was determined through potentiometric and UV–vis spectroscopy at 25 °C 0.15 M NaCl. logarithms equilibrium constants for its complexes according to eqs 2H2L + 2Cu ⇆ [Cu2(H2L)2], [Cu2(H2L) (HL)] H, [Cu2(HL)2] 2H, [Cu2(HL)(L)] 3H, [Cu2L2] 4H were 12.02(7), 8.04(5), 1.26(6), −7.51(6), −16.36(6), respectively. knowledge behavior has supported synthesis three new compounds bearing...
The use of star anise oil from a natural source as dienophile in the multicomponent double Povarov reaction (MCPRs) to produce highly substituted julolidines with diverse technological applications is described. Within framework green chemistry, these MCPRs have many advantages such (i) water reaction, (ii) creation up six bonds one sequence, (iii) sole waste, (iv) 100% carbon economy, (v) metal-free process, and (vi) nontoxic reusable organocatalysts. These advantages, along simple workup...
Three heterobimetallic complexes of formula [Ca2Cu3(mpyba)2(2-apyma)(H2O)7]·8.3H2O (1), [Sr2Cu3(mpyba)2(2-apyma)(H2O)8]·11.6H2O (2) and [Sr4.5Cu4(mpyba)4(ox)(H2O)20]·8.5H2O (3) [H4mpyba = N,N'-2,6-pyridinebis(oxamic acid), 2-apyma 2-(6-aminopyridinyl)oxamate ox oxalate] have been synthesized structurally characterized. Complexes 1 2 are isostructural compounds, with tricopper(ii) units having mpyba its hydrolytic product (2-apyma) as ligands. They interlinked through strontium(ii) (1)...
In this work we describe the preparation, spectroscopic, thermal and structural characterization, cryomagnetic investigation of four new polymorphic derivatives [M2(H2mpba)3]2– mesocate formulas {[K2(dmf)2(H2O)2][M2(H2mpba)3]·2H2O}n (M = Co (1), Ni (2)) [M(tppz)2][M2(H2mpba)3]·9H2O (3), (4)) (H4mpba 1,3-phenylenebis(oxamic) acid), tppz 2,3,5,6-tetrakis(2-pyridyl)pyrazine). Pairs 1/2 3/4 are isomorphous compounds exhibiting a triple-stranded dinuclear motif, [M2(H2mpba)3]2–. 1 2 exhibit...
To investigate the herbicidal potential of 2,5-diketopiperazines (2,5-DKPs), we applied a known protocol to produce series 2,5-DKPs through intramolecular N-alkylation Ugi adducts. However, method was not successful for cyclization adducts presenting aromatic rings with some substituents at ortho position. Results from DFT calculations showed that presence voluminous groups position benzene ring results in destabilization transition structure. Lower activation enthalpies SN2-type were...
The cobalt(II)-mediated self-assembly of the potentially tris(chelating) N,N'-2,2'-(4,4'-bithiazole)bis(oxamate) (dabtzox) ligand gives a new metal-organic supramolecular nanomagnet formula K6Co3(dabtzox)3·8H2O·MeOH (1) featuring unique linear triple-stranded trinuclear structure helicate type.
Four new complexes of formula [Fe(H 2 pcpa) (H O) ] (1), {[Mn(Hpcpa)(Hoxamic acid; bipy = 2,2′-bipyridine] have been synthesized and their structures determined by X-ray diffraction.The structure 1 consists mononuclear iron(II) units where each ion is six-coordinate two trans-positioned water molecules bidentate H pcpa -ligands building a distorted octahedral environment.2 3 consist neutral zigzag chains Mn II Zn ions respectively, the Hpcpa 2-groups acting as linkers in...
Herein, we describe the synthesis, crystal structure, and electronic properties of {[K2(dmso)(H2O)5][Ni2(H2mpba)3]·dmso·2H2O}n (1) [Ni(H2O)6][Ni2(H2mpba)3]·3CH3OH·4H2O (2) [dmso = dimethyl sulfoxide; CH3OH methanol; H4mpba 1,3-phenylenebis(oxamic acid)] bearing [Ni2(H2mpba)3]2- helicate, hereafter referred to as {NiII2}. SHAPE software calculations indicate that coordination geometry all NiII atoms in 1 2 is a distorted octahedron (Oh) whereas environments for K1 K2 are Snub disphenoid J84...
Two novel coordination polymers were synthesized through the reaction of Hpcpa2− ligand (H3pcpa = N-(4-carboxyphenyl)oxamic acid) with cadmium(II) and lead(II) metal ions, yielding [Cd2(Hpcpa)2(H2O)6]n⋅H2O (1) [Pb(Hpcpa)(H2O)]n (2). Structural analysis by single-crystal X-ray diffraction revealed that 1 consists one-dimensional zigzag polymeric chains, while 2 is a three-dimensional polymer network. Additionally, investigations their optical properties carried out in comparative study...
Synthesis, crystal structures, spectroscopy and magnetic properties of three new bpcam-containing complexes are presented here.
Four heterobimetallic compounds of formula [Ni(Me 6 trans [14]dieneN 4 )][Co(NCS) ] ( 1 and 2 ), )] [Co(NCS) ](ClO ) · H O 3 ](PF (Me = 5,7,7,12,14,14‐hexamethyl‐1,4,8,11‐tetraazacyclotetradeca‐4,11‐diene) have been synthesised structurally characterised. Their structures are formed square‐planar 2+ cations tetrahedral 2– anions. The variable‐temperature magnetic properties – mainly obey the zero‐field splitting effects D A ground‐state term pseudo‐tetrahedral anionic complex (2 is energy...
The slow diffusion method affords host–guest systems (<bold>1</bold> and <bold>2</bold>), while the stirring results in chains (<bold>3</bold> <bold>4</bold>) that behave as field-induced cobalt-based Single-Ion Magnets (SIMs).
Five cobalt(II) complexes of formula [CoCl2(Ln)2] [1 with L1 = 1-benzyl-2-phenyl-1H-benzimidazole, 2 L2 2-(furan-2-yl)-1-(furan-2-ylmethyl)-1H-benzimidazole, 3 L3 1-(4-chlorobenzyl)-2-(4-chlorophenyl)-1H-benzimidazole, 4 L4 1-(2-methoxybenzyl)-2-(2-methoxyphenyl)-1H-benzimidazole and 5 L5 2-(thiophen-2-yl)-1-(thiophen-2-ylmethyl)-1H-benzimidazole] have been synthesised, spectroscopically characterised cryomagnetically investigated. The crystal structures 1, 3, determined by X-ray diffraction...
Here we have prepared a dihydrochloride salt dihydrate of the well-known trans-1,2-bis(4-pyridyl)ethene (BPE) featuring both photoluminescent and nonlinear optical properties. In its triclinic lattice (space group P1), BPE cations are stacked face-to-tail through π⋯π interactions between spacer double-bonded carbons protonated pyridyl ring, with slippage 3.45 Å always towards same direction, which is common in other NLO crystals. The existence inversion symmetry was suggested crystal...
Annonalide (3β,20-epoxy-3α,16-dihydroxy-15-oxo-7-pimaren-19,6β-olide, C 20 H 26 O 6 , 1 ) is the major (9β )-pimarane diterpene isolated from tubers of Cassimirella ampla and it exhibits cytotoxic properties upon interaction with ctDNA. We have prepared new derivatives by modification backbone report here semisynthesis absolute configuration a novel rearranged 19,20-δ-lactone )-pimarane. Our approach was reduction carbonyl groups sodium borohydride, at positions C15 (no stereoselectivity) C3...
Abstract The delicate balance among conformation, coordination bonds and hydrogen bonding has been probed in solvatomorphs of known metal-organic molecules synthesised from copper(II), cadmium(II) cobalt(II) with acetate (OAc) 2,2′-bipyridine (bipy). Cu(OAc) 2 (bipy) complex, isolated as a pentahydrate, the ligands oriented to opposite sides square plane. DFT calculations show energy difference between this structure syn form amount approximately 16 kJ/mol. presence lattice water enables...
The hierarchy and robustness of homosynthons heterosynthons formed by N-heterocyclic bases were assessed experimentally in salts aminopyrazine (ampyz) and<italic>trans</italic>-1,2-bis(4-pyridyl)ethane (BPE) with common strong, moderate weak acids, theoretically at the M06-2X/6-31+G** level theory.
We report here for the first time a cocrystal of so-called neutral calix[4]tube, which is two tail-to-tail-arranged and partially deprotonated tetrakis(carboxymethoxy)calix[4]arenes, including three sodium ions, with 2-(thiophen-2-yl)-1,3-benzothiazole, namely trisodium bis(carboxymethoxy)bis(carboxylatomethoxy)calix[4]arene tris(carboxymethoxy)(carboxylatomethoxy)calix[4]arene–2-(thiophen-2-yl)-1,3-benzothiazole–dimethyl sulfoxide–water (1/1/2/2), 3Na + ·C 36 H 30 O 12 2− 31 − 11 7 NS 2 ·2C...
We report a new polymorph of (1E,4E)-1,5-bis(4-fluorophenyl)penta-1,4-dien-3-one, C17H12F2O. Contrary to the precedent literature with Z' = 3, our has one half molecule in asymmetric unit disordered over two 50% occupancy sites. Each site corresponds conformation around single bond vicinal carbonyl group (so-called anti or syn). The other bischalcone is generated by twofold rotation symmetry, giving rise half-occupied and overlapping molecules presenting both syn conformations their open...