Electronic Structure and Photophysical Properties of Planar Conjugated Hydrocarbons with 4n‐Membered Rings. I. Photoelectron Spectra of 1,5,9‐Tridehydro[12]‐annulene and Related Compounds
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E-Article
Title:
Electronic Structure and Photophysical Properties of Planar Conjugated Hydrocarbons with 4n‐Membered Rings. I. Photoelectron Spectra of 1,5,9‐Tridehydro[12]‐annulene and Related Compounds
Description:
<jats:title>Abstract</jats:title><jats:p>The HeI photoelectron spectra of the title compound <jats:bold>1</jats:bold> (1,5,9‐cyclododecatriene‐3,7,11‐triyne), 1,5‐didehydro[12]annulene (1,3,5,9‐cyclododecatetraene‐7, 11‐diyne (<jats:bold>2</jats:bold>)), <jats:italic>sym</jats:italic>‐tri‐benzotridehydro[12]annulene (tribenzo[<jats:italic>a</jats:italic>,<jats:italic>e</jats:italic>,<jats:italic>i</jats:italic>]‐5,6,11,12,17,18‐hexadehydrocyclododecene (<jats:bold>3</jats:bold>)), and <jats:italic>sym</jats:italic>‐dibenzodidehydro[8]annulene (dibenzo[<jats:italic>a</jats:italic>,<jats:italic>e</jats:italic>]‐5,6,11,12‐tetradehydrocyclooctene (<jats:bold>4</jats:bold>)) have been recorded and analysed on the basis of various semi‐empirical model calculations. Despite the distinct bond length alternation in the parent compounds and, apparently, in the radical cations, the first ionization occurs at low energies in these compounds (7.6 ± 0.2 eV). The spectra yield little information with regard to the transannular interactions of the triple bonds.</jats:p>