title: Excited-state behavior of ortho-phenylenes.
abstract: The excited-state properties of unsubstituted ortho-phenylene oligomers have been studied using TD-DFT. Calculations of vertical transitions at the helical ground-state geometries are in good qualitative agreement with the experimental UV-vis spectra. In the excited state, the spring-like compounds compress; for the longer oligomers, this compression is localized at one end of the oligomer. This behavior explains the unusual experimentally observed hypsochromic shifts in fluorescence spectra with increasing oligomer length.
authors: Department of Chemistry & Biochemistry, Miami University, Oxford, Ohio 45056, United States. scott.hartley@muohio.edu
authors: C Scott
authors: CS
authors: Hartley