z-logo
Premium
Über Pterinchemie 51. Mitteilung [1] CNDO‐Rechnungen an Pterin, 6,7‐Dimethyl‐7,8‐dihydropterin und 5‐Formyl‐6, 7‐dimethyl‐5,6,7,8‐tetrahydropterin
Author(s) -
Bieri Jost H.,
Geiger Rudolf E.
Publication year - 1975
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.19750580424
Subject(s) - cndo/2 , chemistry , pterin , computational chemistry , chemical shift , electronegativity , stereochemistry , molecule , organic chemistry , cofactor , enzyme
The 13 C‐NMR.‐spectra of 7,8‐dihydropterines and 5,6,7,8‐tetrahydropterines show a large difference in the chemical shifts of the 4a‐ and 8a‐sp 2 ‐carbon atoms. From the CNDO calculations it is apparent that there is a considerable difference in electron density at C(4a) and C(8a) atoms, which leads to a strong polarity of the CC‐Bond. The electron distribution in the highest occupied molecular orbital (HOMO) is discussed.

This content is not available in your region!

Continue researching here.

Having issues? You can contact us here