Catalysts are substances that increase the reaction rate of a chemical reaction without being consumed in the process. 141-28-6, Name is Diethyl adipate, SMILES is CCOC(=O)CCCCC(=O)OCC, belongs to Triazoles compound. In a document, author is Yang, Chen, introduce the new discover, Computed Properties of C10H18O4.
Investigating the Stabilizing Forces of Pentazolate Salts
Pentazolate (cyclo-N-5(-)) salts are actively pursued energetic nitrogen-rich compounds due to their potential as propellants and explosives. An in-depth understanding of the stabilizing forces between cyclo-N-5(-) anions and cations is important for designing cyclo-N-5(-) salts and achieving cyclo-N-5(-) salt conversions. Herein, the metathetical syntheses of cyclo-N-5(-) salts (compounds 1-4) containing heterocyclic amino-based cations 3,6-diguanidino-1,2,4,5-tetrazine, 1-guanyl-1,2,4-triazolium, 3,7-diamino-7H-[1,2,4]triazolo[4,3-b][1,2,4]triazol-2-ium, and 3,6,7-triamino-7H-[1,2,4]triazolo[4,3-b][1,2,4]triazol-2-ium are reported. In addition, an energetic cocrystal (compound 5) composed of compound 4 with 3,6,7-triamino-7H-[1,2,4]triazolo[4,3-b][1,2,4]triazole was synthesized using cocrystallization techniques. Crystal structures were investigated through geometrical and Hirshfeld analyses and theoretical calculations to reveal the contributions of hydrogen-bonding and pi-stacking interactions in stabilizing the pentazolate salts. Compounds 1-3 are stabilized by strong hydrogen-bonding interactions and weak pi-stacking interactions. The it-stacking interactions (cation-anion pi(+)-pi(-) contacts) are stronger in 4 and have an important role in promoting the stability of the salt. The binding energy of this pi-stacking interaction (-82.4 kcal mol(-1)) slightly surpasses that of the robust N6-H6A center dot center dot center dot N1 interaction (-75.1 kcal mol(-1)). For cocrystal 5, the spatial arrangement of its structural framework differs from that of its precursor, compound 4. The molecular stabilization energy, which increases from -75.1 to -94.3 kcal mol(-1) during the conversion of 4-5, primarily arises from strong pi-stacking interactions. Further observations indicate that cocrystal 5 has better thermal stability and detonation performance than 4, which establishes noncovalent modification via cocrystallization as an efficient method for forming multicomponent crystal systems and highlights the ability of coformers to modify energetic performance.
The proportionality constant is the rate constant for the particular unimolecular reaction. the reaction rate is directly proportional to the concentration of the reactant. I hope my blog about 141-28-6 is helpful to your research. Computed Properties of C10H18O4.