X Ray Single Crystal Structure Analysis
Mostrando 1-12 de 38 artigos, teses e dissertações.
-
1. A New Energetic Complex: Synthesis, Structure, and Combustion Catalysis Performance
The potential of tetrazole-based ligands for forming energetic complexes applied in pyrotechnics and propellants is demonstrated with the use of 5,5’-(1,3-phenylene)bis(1H-tetrazole) (H2BTB) to generate an energetic complex with high energy. A new energetic complex of PbII-tetrazolate, [Pb2(BTB)2(H2O)8]·5H2O (1), was synthesized and structurally character
J. Braz. Chem. Soc.. Publicado em: 2020-08
-
2. When Serendipity Knocks on the Door: Synthesis and Physicochemical Characterization of 7-Chloro-2,3-dihydro-5H-thiazolo[3,2-a ]pyrimidin-5-one
Herein, we present the serendipitous obtaining of 7-chloro-2,3-dihydro-5H-thiazolo [3,2-a]pyrimidin-5-one in 40% yield by using POCl3 and a thiobarbituric acid derivative. The thiazolopyrimidine derivative was characterized by 1H nuclear magnetic resonance (NMR), UV-Vis, and Fourier transform infrared (FTIR) spectroscopy. Additionally, the structure was conf
J. Braz. Chem. Soc.. Publicado em: 04/07/2019
-
3. Two novel Co(II) complexes with two different Schiff bases: inhibiting growth of human skin cancer cells
Using two flexible Schiff bases, H2L1 and H2L2, two new cobalt II (Co(II))-coordination compounds, namely, Py3CoL1 (1) and Py3CoL2 (2) (Py=pyridine, L1=3,5-ClC6H2(O)C=NC6H3(O)-4-NO2, L2=3,5-BrC6H2(O)C=NC6H3(O)-4-NO2) have been synthesized under solvothermal conditions. Single crystal X-ray structural analysis revealed that compounds 1 and 2 are both six-coor
Braz J Med Biol Res. Publicado em: 03/07/2017
-
4. Studies on Growth, Spectral, Thermal, Mechanical and Optical Properties of 4-Bromoanilinium 4-Methylbenzenesulfonate Crystal: A Third Order Nonlinear Optical Material
Abstract 4-Bromoanilinium 4-methylbenzenesulfonate (4BPTS) single crystal was successfully grown from ethanol by slow evaporation method at room temperature. The structure of grown crystal was confirmed by single crystal X-ray diffraction studies. The presence of functional groups of grown crystal was confirmed by the Fourier transform infrared spectroscopy
Mat. Res.. Publicado em: 18/07/2016
-
5. Quinolines by Three-Component Reaction: Synthesis and Photophysical Studies
The synthesis of five quinolines 8-octyloxy-4-[4-(octyloxy)phenyl]quinoline and 6-alkoxy- 2-(4-alkoxyphenyl)-4-[(4-octyloxy)aryl]quinolines are described by three-component coupling reaction mediated by Lewis acid FeCl3 and Yb(OTf)3. 4-n-octyloxybenzaldehyde, anisaldehyde, 4-n-octyloxyaniline p-anisidine, and 1-ethynyl-4-heptyloxybenzene, 1-ethynyl-4-octylox
J. Braz. Chem. Soc.. Publicado em: 2015-03
-
6. Acoplamento de cloreto de 4-nitrofenildiazônio com nucleófilos alifáticos: experimento integrado de síntese orgânica e cristalografia de raios X
This article describes an undergraduate experiment for the synthesis of p-nitrophenyldiazonium chloride and its coupling with acetylacetone and two enaminones, 4-phenylamino-pent-3-en-2-one and 4-amino-pent-3-en-2-one, in an adaptation of a previously reported synthetic protocol. The azo dyes 4-(E)-phenylamino-3-[(E)-2-(4-nitrophenylazo)]-3-penten-2-one and
Quím. Nova. Publicado em: 2013
-
7. Combined experimental powder X-ray diffraction and DFT data to obtain the lowest energy molecular conformation of friedelin
Friedelin molecular conformers were obtained by Density Functional Theory (DFT) and by ab initio structure determination from powder X-ray diffraction. Their conformers with the five rings in chair-chair-chair-boat-boat, and with all rings in chair, are energy degenerated in gas-phase according to DFT results. The powder diffraction data reveals that rings A
Quím. Nova. Publicado em: 2012
-
8. SÍNTESE, ESTUDOS ESPECTROSCÓPICOS E ESTRUTURAIS DE COMPLEXOS CONTENDO O LIGANTE 4,4- BIPIRIDINA, O ÂNION BARBITURATO E OS ÍONS METÁLICOS DA PRIMEIRA SÉRIE DE TRANSIÇÃO (Fe2+, Co2+, Ni2+, Cu2+ e Zn2+)
This work describes the synthesis and characterization of five new transition metal complexes of general formula MB2Bipy.10H2O (where M = Fe2+, Co2+, Ni2+, Cu2+ and Zn2+, B is barbiturate anion and Bipy is 4,4-bipyridine) . Several physical and spectroscopical techniques were used to characterize the compounds, such as elemental analysis (CHN), thermal analy
Publicado em: 2009
-
9. Self-assembly of supermolecular species directed by hydrogen bonding and aromatic π-π stacking interactions
A new Cu(II) trimers, [Cu3(dcp)2(H2O)8]. 4DMF, with the ligand 3,5-pyrazoledicarboxylic acid monohydrate (H3dcp) has been prepared by solvent method. Its solid-state structure has been characterized by elemental analysis, thermal analysis (TGA and DSC), and single crystal X-ray diffraction. X-ray crystallographic studies reveal that this complex has extended
Eclética Química. Publicado em: 2008
-
10. SUPRAMOLECULARIDADE DE TRIAZENOS ASSIMÉTRICOS DISSUBSTITUÍDOS 4-(ETOXICARBONILFENIL)-2-(HALOFENIL) E COMPLEXOS DE Ni(II), Cu(II) E Hg(II) / SUPRAMOLECULARITY OF ASYMMETRIC DISUBSTITUTED 4-(ETHOXYCARBONYLPHENYL)-2-(HALOPHENYL)TRIAZENES AND COMPLEXES CONTAINING Ni(II), Cu(II), AND Hg(II)
Triazenes and/or triazenido ligands, strategically substituted by terminal aryl groups [-N=NN(H)-] or (-N3 --) chains and containing halogen in the ortho position and ester in the para position, were evaluated in relation to the occurrence of intermolecular interactions through secondary non-covalent bonding. The research is based on the single crystal X-ray
Publicado em: 2008
-
11. Nanofibras de carbono verticalmente alinhadas:: estudo do crescimento por microscopia eletrônica de transmissão
This work is about the growth of vertically aligned Carbon Nanofibers - CNFs - grown by Plasma Enhanced Chemical Vapour Deposition - PECVD. Being so, a detailed study of catalyst particle is necessary and Transmission Electron Microscopy - TEM - is fundamental for this knowledge. Some analytical techniques associated to TEM were used: Bright and Dark Field I
Publicado em: 2008
-
12. AVALIAÇÃO DE ARRANJOS SUPRAMOLECULARES DE COMPLEXOS TRIAZENIDOS DE MERCÚRIO(II) E COBRE(II) / EVALUATION OF SUPRAMOLECULAR ARRANGEMENTS OF TRIAZENIDE COMPLEXES OF MERCURY(II) AND COPPER(II).
The reaction between deprotonated 1,3-Bis(3-acetylphenyl)triazene and Hg(CH3COO)2 in methanol, yields [Hg(RNNNR)(Py)] (R=3-CH3C(O)C6H4) (1), a triazenide dimeric mononuclear complex of mercury(II). The crystal structure analysis of (1) reveals a bi−dimensional supramolecular arrangement as result of molecular self-assembly provided by Hg−η,
Publicado em: 2007