| 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. |
