ELECTRONIC-STRUCTURE OF THE DISILENYL RADICAL-ANION

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

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Zeitschriftenaufsatz | Veröffentlicht | Englisch
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Abstract / Bemerkung
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.
Erscheinungsjahr
Zeitschriftentitel
JOURNAL OF PHYSICAL ORGANIC CHEMISTRY
Band
7
Zeitschriftennummer
5
Seite
251-255
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eISSN
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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. doi:10.1002/poc.610070506
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.