TY  - JOUR
A1  - Gleiter, Rolf
A1  - Bischof, Peter
A1  - Christl, Manfred
T1  - Electronic Structure of Octavalene : Photoelectron Spectroscopic Investigations
N2  - 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\(_1\) (\(\sigma\) + \(\pi\)).
KW  - Chemie
KW  - Octavalen
KW  - Photoelektron
Y1  - 1986
U6  - http://nbn-resolving.de/urn/resolver.pl?urn:nbn:de:bvb:20-opus-31588
ER  - 
TY  - JOUR
A1  - Gleiter, Rolf
A1  - Bischof, Peter
A1  - Gubernator, Klaus
A1  - Christl, Manfred
A1  - Schwager, Luis
A1  - Vogel, Pierre
T1  - 2,3-Bis(methylene)bicyclo[2.1.1]hexane and 3,4-Bis(methylene)tricyclo[3.1.0.0\(^{2,6}\)]hexane : Interaction between a π System and a Cyclobutane or Bicyclobutane Moiety
N2  - The He (I) photoelectron spectra of 2-bicyclo[2.1.l]hexene (1), 2,3-bis(methylene)bicyclo[2.1.l]hexane (3), and 3,4-bis(methylene)tricyclo[3.l.O.0\(^{2.6}\)]hexane (4) have been investigated. The assignment given is based on a ZDO model and semiempirical calculations. Tagether with the PE data of benzvalene (2), the reported data allow a comparison between 1-2 and 3-4. This yields a measure of the interactions between 8 cyclobutane or 8 bicyclobutane moiety and a double bond system within a ZDO model. The resonance integral found in the case of 1 and 3 amounts to -1.9 eV, that for 2 and 4, to -2.3 eV. The investigations furthermore reveal that the electronic factors which contribute to the higher reactivity of the bicyclobutane compounds amount to 5 kcal/mol.
KW  - Chemie
Y1  - 1985
U6  - http://nbn-resolving.de/urn/resolver.pl?urn:nbn:de:bvb:20-opus-31845
ER  -