Estimation of electron affinity based on structure activity relationships was written by Hilal, S. H.;Carreira, L. A.;Karickhoff, S. W.;Melton, C. M.. And the article was included in Quantitative Structure-Activity Relationships in 1993.Related Products of 322-46-3 This article mentions the following:
Electron affinity for a wide range of organic mols. was calculated from mol. structure using the chem. reactivity models developed in SPARC. These models are based on fundamental chem. structure theory applied to the prediction of chem. reactivities for organic mols. strictly from mol. structure. The energy differences between the LUMO state and the HOMO state for a mol. of interest are factored into mechanistic components including the field, sigma induction and resonance contributions to these energy differences. The RMS deviation between observed and calculated electron affinities was found to be less than 0.14 e.v. for a large set of organic mols. In the experiment, the researchers used many compounds, for example, Pyrido[2,3-b]pyrazine (cas: 322-46-3Related Products of 322-46-3).
Pyrido[2,3-b]pyrazine (cas: 322-46-3) belongs to pyrazine derivatives. Pyrazine has the elements of symmetry for the point group D2h. It has three mutually perpendicular two-fold axes. It also has three mutually perpendicular planes of symmetry. As a result, pyrazine also has a centre of symmetry. Pyrazines undergo nearly all of the same reactions as pyrimidines, from nucleophilic substitution (SNAr) to palladium-catalyzed cross coupling reactions.Related Products of 322-46-3