The prevalence of solvent effects in heterogeneous catalysis in condensed media has motivated developing quantitative kinetic, and theoretical assessments of solvent structures and their interactions with reaction intermediates and transition states. 1317-39-1, Name is Copper(I) oxide, belongs to copper-catalyst compound, is a common compound. Electric Literature of 1317-39-1In an article, once mentioned the new application about 1317-39-1.
The characteristics of copper oxide clusters in their neutral, anionic and cationic states were investigated using density functional theory calculations. Linear or near linear structures were shown by the ground state structures. A study on the ground state of a cluster, investigated within the hybrid and generalized gradient approximation DFT methods, was presented. The time-dependent density functional theory was applied for determining the low-lying excited states for the clusters. The role played by the excited states in assigning features in the photoelectron spectra was analyzed.
Sometimes chemists are able to propose two or more mechanisms that are consistent with the available data. Electric Literature of 1317-39-1, If a proposed mechanism predicts the wrong experimental rate law, however, the mechanism must be incorrect.Welcome to check out more blogs about 1317-39-1, in my other articles.
Reference：
Copper catalysis in organic synthesis – NCBI,
Special Issue “Fundamentals and Applications of Copper-Based Catalysts”