language: de

Ermittlung der Elektronenaffinitäten von Maleinsäureanhydrid, -thioanhydrid, -imid und einiger ihrer disubstituierten Halogenderivate über CT-Messungen und ihre semiempirische Berechnung (MINDO/3)

Jörg Fleischhauer und Adel N. Asaad
Lehrgebiet für Theoretische Chemie der Technischen Hochschule Aachen
Z. Naturforsch. 85a, 312—316 (1980);

[eingegangen am 5. Dezember 1979]

[Estimation of the Electron Affinities of Moleic Anhydride, Moleic Thioanhydridef Maleic Imide and Some of Their Disvbstüuted Halogene Derivatives via CT-Measurements and Their Semiempirical Calculation (M1NDO/3)]

Using Mulliken's theory of intermolecular interactions the electron affinities of some cyclic olefines ( electron acceptors ) have been determined by measurement of the charge transfer energies of their complexes with the electron donors 2,5-dimethyl-2,4-hexadiene and hexamethylbenzene. These electron affinities are compared with MINIX)/3-result8. It is investigated whether a correlation of the experimental affinities and the calculated jr-HOMO-energies is possible. Finally the expected dienophilicities of the olefines are discussed.

In dieser Arbeit ging es darum, die Elektronenaf-