scholarly journals Reactions of copper(II) bromide with 2,6-diacetylpyridine bis(phenyl-hydrazone) (L)-molecular and crystal structure of L and its mixed-valence complex [cuiil2][cui2br4]

2021 ◽  
pp. 112-112
Author(s):  
Marko Rodic ◽  
Mirjana Radanovic ◽  
Dragana Gazdic ◽  
Vukadin Leovac ◽  
Berta Barta-Holló ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Thermal Stability ◽  
Crystal Packing ◽  
Complex Cation ◽  
Mixed Valence ◽  
Molecular Structures ◽  
Planar Geometry ◽  
Dispersion Interactions ◽  
X Ray Crystallography ◽  
Thermal Stability Of

Utilizing X-ray crystallography the crystal and molecular structures of 2,6-diacetylpyridine bis(phenylhydrazone) (L) were determined. Energetics of the intermolecular interactions in the crystal structure was assessed with computational methods, revealing that dispersion interactions are dominant. The basic structural unit of the crystal packing is revealed to be the herring-bone type arrangement of L molecules. Assignation of the IR spectrum of L with the aid of DFT calculations was performed. Furthermore, new reactions of L with CuBr2 in different solvents are described, which led to the synthesis of the mixed Cu(II)-Cu(I) complex of the formula [CuIIL2][CuI2Br4] (1), and its structural characterization. In the complex cation, two molecules of tridentate N3 ligand are meridionally arranged in a very distorted octahedral environment of a Cu(II) ion. In [Cu2Br4]2-, bromide ions are arranged in a trigonal-planar geometry around each copper(I) atom. Finally, for the ligand, 1, and the previously synthesized complex [CuL2]Br2, thermal properties were examined. The thermal stability of the com-plexes is lower than that of the ligand and decreases in order: L (250?C) > > [CuL2]Br2 (221?C) > [CuIIL2][CuI2Br4] (212?C). The differences in thermal stability of the complexes are due to differences in packing efficacy of the constitutional ions.

Crystal structure, luminescence, and thermal stability of CsAlSi2O6:Tb3+ phosphors with highly efficient green emission

2021 ◽  
pp. 111441
Author(s):  
Seiya Shimono ◽  
Taichi Izaki ◽  
Nagisa Tanaka ◽  
Yasushi Nanai ◽  
Takaaki Morimoto ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Thermal Stability ◽  
Green Emission ◽  
Highly Efficient ◽  
Thermal Stability Of

scholarly journals Controlling Thermal Stability and Volatility of Organogold(I) Compounds for Vapor Deposition with Complementary Ligand Design

2019 ◽  
Author(s):  
Matthew Griffiths ◽  
Zachary Dubrawski ◽  
Goran Bačić ◽  
Jason Masuda ◽  
Achini Japahuge ◽  
...  
Keyword(s):  
Thermal Stability ◽  
Vapor Deposition ◽  
Figure Of Merit ◽  
Density Functional ◽  
Computational Techniques ◽  
Functional Theory ◽  
Design Studies ◽  
X Ray Crystallography ◽  
Compare And Contrast ◽  
Thermal Stability Of

We compare and contrast the volatility and thermal stability of a family of twelve organometallic gold(I) compounds using a combination of X-ray crystallography, thermogravimetric analysis (TGA), and density functional theory (DFT) techniques. Pentafluorophenyl is used as a new ligand for vapor deposition which produces rather low volatility, but very thermally stable compounds when combined with PMe<sub>3</sub> and <i>N</i>,<i>N</i>'-di-<i>tert</i>-butylimidazolidin-2-ylidene. We introduce a precursor figure of merit that can be used to rank precursor usefulness. Using DFT, we find a linear correlation between Au-L bond strength and thermal stability, which demonstrates the power of computational techniques to predict successful synthetic targets for future precursor design studies.

scholarly journals Controlling Thermal Stability and Volatility of Organogold(I) Compounds for Vapor Deposition with Complementary Ligand Design

2019 ◽  
Author(s):  
Matthew Griffiths ◽  
Zachary Dubrawski ◽  
Goran Bačić ◽  
Jason Masuda ◽  
Achini Japahuge ◽  
...  
Keyword(s):  
Thermal Stability ◽  
Vapor Deposition ◽  
Figure Of Merit ◽  
Density Functional ◽  
Computational Techniques ◽  
Functional Theory ◽  
Design Studies ◽  
X Ray Crystallography ◽  
Compare And Contrast ◽  
Thermal Stability Of

We compare and contrast the volatility and thermal stability of a family of twelve organometallic gold(I) compounds using a combination of X-ray crystallography, thermogravimetric analysis (TGA), and density functional theory (DFT) techniques. Pentafluorophenyl is used as a new ligand for vapor deposition which produces rather low volatility, but very thermally stable compounds when combined with PMe<sub>3</sub> and <i>N</i>,<i>N</i>'-di-<i>tert</i>-butylimidazolidin-2-ylidene. We introduce a precursor figure of merit that can be used to rank precursor usefulness. Using DFT, we find a linear correlation between Au-L bond strength and thermal stability, which demonstrates the power of computational techniques to predict successful synthetic targets for future precursor design studies.

Synthesis and Characterization of Some Functional Luminol Derivatives with Aromatic Substituted Groups

2011 ◽  
Vol 197-198 ◽  
pp. 606-609 ◽  
Author(s):  
Ti Feng Jiao ◽  
Yuan Yuan Xing ◽  
Jing Xin Zhou ◽  
Wei Wang
Keyword(s):  
Molecular Structure ◽  
Thermal Stability ◽  
Molecular Structures ◽  
Synthesis And Characterization ◽  
Functional Material ◽  
Aromatic Substituent ◽  
The Difference ◽  
Imide Group ◽  
Thermal Stability Of

Some functional luminol derivatives with aromatic substituted groups have been designed and synthesized from the reaction of the corresponding aromatic acyl chloride precursors with luminol. It has been found that depending on the size of aromatic groups, the formed luminol derivatives showed different properties, indicating distinct regulation of molecular skeletons. UV and IR data confirmed commonly the formation of imide group as well as aromatic segment in molecular structures. Thermal analysis showed that the thermal stability of luminol derivatives with p-phthaloyl segment was the highest in those derivatives. The difference of thermal stability is mainly attributed to the formation of imide group and aromatic substituent groups in molecular structure. The present results have demonstrated that the special properties of luminol derivatives can be turned by modifying molecular structures of objective compounds with proper substituted groups, which show potential application in functional material field and ECL sensor.

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