ISSN:
0018-019X
Keywords:
Chemistry
;
Organic Chemistry
Source:
Wiley InterScience Backfile Collection 1832-2000
Topics:
Chemistry and Pharmacology
Notes:
The photoelectron spectra of bullvalene (1), dihydrobullvalene (2), tetrahydrobullvalene (3), hexahydrobullvalene (4), and homotropylidene (5) have been recorded. The first bands in these spectra are correlated with orbitals which are linear combinations of the Walsh-e-orbitals and of the olefinic π-orbitals. This assignment is based on a qualitative ZDO-molecular orbital model as well as on the results of extended Hückel calculations. As anticipated, a large interaction is found between the π- and the Walsh-e-orbitals in 1, 2, and 3, indicative of a resonance integral β ≈ -2 eV, i.e. of the same order as that between the two double bond π-orbitals in butadiene (β = - 2.4 eV). In 5 the interaction between π- and Walsh-e-orbitals is negligible.
Additional Material:
5 Ill.
Type of Medium:
Electronic Resource
URL:
http://dx.doi.org/10.1002/hlca.19700530712
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