ELECTRONIC-STRUCTURE OF THE DISILENYL RADICAL-ANION

Schoeller W, BUSCH T (1994)
JOURNAL OF PHYSICAL ORGANIC CHEMISTRY 7(5): 251-255.

Journal Article | Published | English

No fulltext has been uploaded

Author
Abstract
According to quantum chemical calculations, the anion radical of disilene adopts a syn- or anti-pyramidal geometry. The former is not a stable entity on the electronic hypersurface and it decreases further in energy by rotation of the Si-Si bond. Energy optimization of various structural alternatives reveals for the anion radical an Si-Si bond slightly longer than a single bond. The anti geometry prefers a C2h geometry whereas the syn geometry resembles a silylene coupled with a silylene radical anion. The fragmentation of disilene into two silylene units is less exothermic for the neutral species than for the anion (radical), as examined by the ab initio calculations.
Publishing Year
ISSN
eISSN
PUB-ID

Cite this

Schoeller W, BUSCH T. ELECTRONIC-STRUCTURE OF THE DISILENYL RADICAL-ANION. JOURNAL OF PHYSICAL ORGANIC CHEMISTRY. 1994;7(5):251-255.
Schoeller, W., & BUSCH, T. (1994). ELECTRONIC-STRUCTURE OF THE DISILENYL RADICAL-ANION. JOURNAL OF PHYSICAL ORGANIC CHEMISTRY, 7(5), 251-255.
Schoeller, W., and BUSCH, T. (1994). ELECTRONIC-STRUCTURE OF THE DISILENYL RADICAL-ANION. JOURNAL OF PHYSICAL ORGANIC CHEMISTRY 7, 251-255.
Schoeller, W., & BUSCH, T., 1994. ELECTRONIC-STRUCTURE OF THE DISILENYL RADICAL-ANION. JOURNAL OF PHYSICAL ORGANIC CHEMISTRY, 7(5), p 251-255.
W. Schoeller and T. BUSCH, “ELECTRONIC-STRUCTURE OF THE DISILENYL RADICAL-ANION”, JOURNAL OF PHYSICAL ORGANIC CHEMISTRY, vol. 7, 1994, pp. 251-255.
Schoeller, W., BUSCH, T.: ELECTRONIC-STRUCTURE OF THE DISILENYL RADICAL-ANION. JOURNAL OF PHYSICAL ORGANIC CHEMISTRY. 7, 251-255 (1994).
Schoeller, Wolfgang, and BUSCH, T. “ELECTRONIC-STRUCTURE OF THE DISILENYL RADICAL-ANION”. JOURNAL OF PHYSICAL ORGANIC CHEMISTRY 7.5 (1994): 251-255.
This data publication is cited in the following publications:
This publication cites the following data publications:

Export

0 Marked Publications

Open Data PUB

Web of Science

View record in Web of Science®

Search this title in

Google Scholar