Korber, Guenter; Rademacher, Paul; Boese, Roland:
Electronic structure and conformational properties of azines. 3. Molecular structure and conformation of tetramethoxyformaldazine: a spectroscopic, x-ray crystallographic and MNDO study.
1988
In: Acta Chemica Scandinavica, Series A: Physical and Inorganic Chemistry, Jg. A42 (1988), Heft 8-9, S. 571 - 577
Artikel/Aufsatz in Zeitschrift / Fach: Chemie
Titel:
Electronic structure and conformational properties of azines. 3. Molecular structure and conformation of tetramethoxyformaldazine: a spectroscopic, x-ray crystallographic and MNDO study.
Autor(in):
Korber, Guenter; Rademacher, Paul im Online-Personal- und -Vorlesungsverzeichnis LSF anzeigen; Boese, Roland im Online-Personal- und -Vorlesungsverzeichnis LSF anzeigen
Erscheinungsjahr:
1988
Erschienen in:
Acta Chemica Scandinavica, Series A: Physical and Inorganic Chemistry, Jg. A42 (1988), Heft 8-9, S. 571 - 577
ISSN:

Abstract:

The electronic structure of tetramethoxyformaldazine was investigated by photoelectron spectroscopy and MNDO calcns. Some conformational properties and the mol. structure were analyzed by vibrational spectroscopy, MNDO calcns., and x-ray crystallog. The compd. is monoclinic, space group P21/n, with a 7.108(1), b 6.252(1), c 9.983(2) .ANG., and b 99.12(3) Deg; Z = 2. Final R = 0.043. The at. coordinates, bond lengths and angles are given. The compd. is planar and centrosym. (mol. symmetry C2h). Correlations between electronic structure and conformational properties of azines with different substituents are discussed on the basis of a qual. stereoelectronic model.