Boese, Roland; Blaeser, Dieter; Gleiter, Rolf; Pfeifer, Karl Heinz; Billups, W.e.; Haley, Michael M.:
Structure and photoelectron spectrum of 3,3'-bicyclopropenyl.
1993
In: Journal of the American Chemical Society (J.Am.Chem.Soc.), Jg. 115 (1993), Heft 2, S. 743 - 746
Artikel/Aufsatz in Zeitschrift / Fach: Chemie
Titel:
Structure and photoelectron spectrum of 3,3'-bicyclopropenyl.
Autor(in):
Boese, Roland im Online-Personal- und -Vorlesungsverzeichnis LSF anzeigen; Blaeser, Dieter; Gleiter, Rolf; Pfeifer, Karl Heinz; Billups, W.e.; Haley, Michael M.
Erscheinungsjahr:
1993
Erschienen in:
Journal of the American Chemical Society (J.Am.Chem.Soc.), Jg. 115 (1993), Heft 2, S. 743 - 746
ISSN:

Abstract:

The x-ray crystal structure of thermally sensitive 3,3'-bicyclopropenyl (1) (mp 198 K) has been detd. at 103 K using a miniature-zone melting procedure with focused IR light. The structural parameters calcd. for the anti conformer using the Hartree-Fock SCF procedure with a 3-21G basis set compare well with the exptl. data. The photoelectron spectrum of 1, which exhibits three peaks of different heights well sepd. from a smaller fourth one, can be interpreted in terms of about a 2:1 mixt. of anti and gauche conformers, resp., in the gas phase.