Catalysts are substances that increase the reaction rate of a chemical reaction without being consumed in the process. 108-59-8, Name is Dimethylmalonate, SMILES is O=C(OC)CC(OC)=O, belongs to thiazolidines compound. In a document, author is Kavitha, Helen P., introduce the new discover, Product Details of 108-59-8.
Molecular structure and vibrational spectra of 2-(4-bromophenyl)-3-(4-hydroxyphenyl) 1,3-thiazolidin-4-one and its selenium analogue: Insights using HF and DFT methods
2-(4-Bromophenyl)-3-(4-hydroxyphenyl)-1,3-thiazolidin-4-one and its selenium analogue were studied in the gas phase using HF and DFT methods. The functionals considered were B3LYP, BP86 and M06. The basis set for all the atoms was 6-311++ G(d, p). Molecular parameters such as bond lengths, bond angles, rotational constants, dipole moments, electronic energies, and vibrational parameters namely harmonic vibrational frequencies and relative intensities were computed for these compounds. Atomization energies, HOMO-LUMO gaps and natural charges on the atoms were also calculated. The molecular parameters and the vibrational spectra of sulfur compound are in good agreement with the experimental data. Therefore, the data for the selenium analogue should be helpful in its future characterization.
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 108-59-8 is helpful to your research. Product Details of 108-59-8.
Reference:
Thiazolidine – Wikipedia,
,Thiazolidine – ScienceDirect.com