Electric Literature of 15804-19-0, A catalyst don’t appear in the overall stoichiometry of the reaction it catalyzes, but it must appear in at least one of the elementary reactions in the mechanism for the catalyzed reaction. 15804-19-0, Name is Quinoxaline-2,3(1H,4H)-dione, molecular formula is C8H6N2O2. In a Article£¬once mentioned of 15804-19-0
Experimental and ab initio calculational studies on 2,3-diketo- benzopiperazine
The title compound, 2,3-diketo-benzopiperazine, has been synthesized and characterized by elemental analysis, IR, electronic spectroscopy and single crystal X-ray diffraction. Ab initio calculations of the structure, natural bond orbital, topological analysis and thermodynamic functions of the title compound were performed at HF/6-311G** and B3LYP/6-311G** levels of theory. Vibrational frequencies were also predicted, assigned, compared with the experimental values, and they supported each other. Electronic absorption spectra were calculated by the time-dependent density functional theory, which indicates that the two absorption bands are mainly derived from the contribution of bands pi?pi*. The calculation of the second order optical non-linearity was carried out, and the molecular hyperpolarisability was 3.282¡Á10-30 esu.
Balanced chemical reaction does not necessarily reveal either the individual elementary reactions by which a reaction occurs or its rate law.Electric Literature of 15804-19-0. In my other articles, you can also check out more blogs about 15804-19-0
Reference£º
Quinoxaline – Wikipedia,
Quinoxaline | C8H6N333 | ChemSpider