@article{GleiterBischofChristl1986, author = {Gleiter, Rolf and Bischof, Peter and Christl, Manfred}, title = {Electronic Structure of Octavalene : Photoelectron Spectroscopic Investigations}, url = {http://nbn-resolving.de/urn:nbn:de:bvb:20-opus-31588}, year = {1986}, abstract = {The He I photoelectron (PE) spectra of octavalene (5) as weil as its hydrogenated products 6-8 have been investigated. The assignment given is based on an empirical comparison of 5-8 with related compounds, a ZDO model, and semiempirical and ab initio calculations. Within the ZDO model the interaction between the buta.diene moiety and the bicyclobutane fragment of 5 is described by a resonance integral of -2.3 eV. The orbitalsequence of 5 is found tobe 2a\(_2\) (\(\pi\)-\(\sigma\)), 9a\(_1\) (\(\sigma\)), 3b1 (\(\pi\) - \(\sigma\)), 1a\(_2\) (\(\sigma\) + \(\pi\)), 2b\(_1\) (\(\sigma\) + \(\pi\)).}, subject = {Chemie}, language = {en} }