Orbital interactions in anti- and syn- tricyclooctadienes and their homoderivatives |
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| Authors: | Jens Spanget-Larsen Rolf Gleiter Leo A Paquette Michael J Carmody Charles R Degenhardt |
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| Institution: | (1) Institut für Organische Chemie der Technischen Hochschule, D-6100 Darmstadt, Federal Republic of Germany;(2) Evans Chemical Laboratories, The Ohio State University, 43210 Columbus, Ohio, USA |
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| Abstract: | Photoelectron spectroscopy and molecular orbital calculations of the Extended Hückel, MINDO/3 and STO-3G Hartree-Fock type have been applied to anti- and syn-tricyclo4.2.0.02,5]octadiene (1 and 2) and their homo and bishomo derivatives. The resulting ordering of the one-electron levels for 1 and 2 are 7a
g
( +), 6b
u
( ), 5b
u
(–)], 4a
u
(), 3a
u
() and 7a
1(+), 5b
2(), 6b
2(–), 3a
2(), 4b
1(), respectively. The present results differ substantially from those previously published. |
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| Keywords: | Tricyclooctadienes PE spectra and MO calculations of  " target="_blank">gif" alt="sim" align="MIDDLE" BORDER="0"> |
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