Premium
De la chimie des ptérines. 19 e communication [1]. Essai d'interprétation des propriétés chimiques des ptérines au moyen de calcul d'orbitales moléculaires
Author(s) -
Bobst A.
Publication year - 1967
Publication title -
helvetica chimica acta
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.74
H-Index - 82
eISSN - 1522-2675
pISSN - 0018-019X
DOI - 10.1002/hlca.19670500606
Subject(s) - chemistry , molecule , computational chemistry , stereochemistry , organic chemistry
Abstract HMO and semi‐empirical SCF calculations on pterine systems of biochemical interest have been performed. The most basic center of each molecule has been determined by correlating the perturbation effect on the transition energy and the spectroscopic data. Additional calculations attempt to show why the redox‐system which interfers in hydroxylation reactions consists of 5,6,7,8‐tetrahydropterine and a quinoidic form. Finally the formation of radicals in the oxidation step of hydrogenated pterines is discussed.