New research progress on 771-60-8 in 2021. As an important bridge between the micro and macro material world, chemistry is one of the main methods and means for humans to understand and transform the material world. 771-60-8, Name is 2,3,4,5,6-Pentafluoroaniline, formurla is C6H2F5N. In a document, author is Rajaeian, Elahe, introducing its new discovery. Computed Properties of C6H2F5N.
The 1,3-dipolar cycloaddition reactions also known as the Huisgen cycloaddition are one of the most widely used and versatile preparative methods in hetro-cyclic chemistry. In this study, the reactivity and strain energy effect of the simple cycloalkynes with substituted Nitrile sulfides R-CNS (R = H, CH3, Ph and Ph(CH3)(3)) will be discussed in light of computational studies using DFT methods (B3LYP/6-31G*). The investigation of the structured properties, theoretical thermodynamic and kinetic data of the reactions in 298 K will be presented. The results show increase in the Delta G* by increasing the ring size and decreasing the strain energy of cycloalkynes. Also, the rate constants and the free energy changes in reactions increase as the size of the ring decreases. The relationships of the deviation of the internal bond angle (DIBA, in degrees), pi-strain (S pi) (in kcal mol(-1)), the bond angle of Csp(3)-C C (theta degrees) and Delta G(#)(kcal mol(-1)) for the series of cycloalkynes I-1 to I-4 have investigated.
The proportionality constant is the rate constant for the particular unimolecular reaction. the reaction rate is directly proportional to the concentration of the reactant. In my other articles, you can also check out more blogs about 771-60-8. Computed Properties of C6H2F5N.
Reference:
Isothiazole – Wikipedia,
,Isothiazole – ScienceDirect.com