A thermochemical computational study on hydroxyquinolines and their azulene analogues was written by Meshhal, Moyassar M.;El-Demerdash, Safinaz H.;El-Nahas, Ahmed M.. And the article was included in Journal of Molecular Structure in 2019.Related Products of 626-64-2 This article mentions the following:
Ab initio CBS-QB3 method has been used to determine gas-phase enthalpies of formation for 34 compounds including a number of hydroxyquinoline isomers, the corresponding azulene analogs and their parent systems. The mean absolute deviation of 4.43 kJ/mol reveals good agreement between our results and the available exptl. data. Relative thermodn. stabilities of hydroxyquinoline isomers and related analogs were discussed and several isomerization reactions enthalpies were derived. The same level of theory has also been utilized to calculate adiabatic ionization energies and electron affinities for the mols. with known exptl. values and the agreement between theory and experiment was found to be within 8 kJ/mol. In the experiment, the researchers used many compounds, for example, Pyridin-4-ol (cas: 626-64-2Related Products of 626-64-2).
Pyridin-4-ol (cas: 626-64-2) belongs to pyridine derivatives. In contrast to benzene, Pyridine’s electron density is not evenly distributed over the ring, reflecting the negative inductive effect of the nitrogen atom. Halopyridines are particularly attractive synthetic building blocks in a variety of cross-coupling methods, including the Suzuki-Miyaura cross-coupling reaction.Related Products of 626-64-2