Electric Literature of 288-14-2, The reaction rate of a catalyzed reaction is faster than the reaction rate of the uncatalyzed reaction at the same temperature.288-14-2, Name is Isoxazole, molecular formula is C3H3NO. In a Article,once mentioned of 288-14-2
One of the simplest 1,3-dipolar cycloaddition reactions occurs between HC<*>CH and HCN+-O- to yield the five-membered isoxazole ring.Previous theoretical studies have been divided on the key issue of whether or not the transition state is relatively symmetric.Ab initio self-consistent-field gradient methords were used in the present research.Independently employing 4-31G and (9s5p/4s2p) double zeta basis sets, the saddle-point structures and associated vibrational frequencies were predicted.The two basis sets yielded very similar and on geometrical grounds relatively symmetric transition-state geometries.However, the transition state stretching force constants for the two new bonds being formed differ by a factor of 10, suggesting a lack of symmetry in this respect.Stationary points on the C3H3NO potential energy surface have been further investigated using basis sets which include polarization functions or large-scale configuration interaction.Polarization functions increase the exothermisity somewhat, while correlation effects significantly reduce the barrier height and the exothermicity.
A reaction mechanism is the microscopic path by which reactants are transformed into products. Each step is an elementary reaction. In my other articles, you can also check out more blogs about 288-14-2
Reference:
Isoxazole – Wikipedia,
Isoxazole | C3H3NO – PubChem