Electronic transitions in the IR: Matrix isolation spectroscopy and electronic structure theory calculations on polyacenes and dibenzopolyacenes
Literature Information
Jennifer L. Weisman, Timothy J. Lee, Doug M. Hudgins, Lou J. Allamandola, Charles W. Bauschlicher Jr., Martin Head-Gordon
We present the argon matrix isolated and theoretical spectra of the dibenzo[fg,op]tetracene, dibenzo[hi,uv]hexacene and dibenzo[jk,a1b1]octacene ions. Low-lying electronic absorptions are observed experimentally with significant intensity in the radical anion species. These electronic features in the IR region are confirmed with time dependent density functional theory calculations. We investigate the origin of these IR electronic transitions with orbital mixing considerations.
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