Electron-phonon coupling in negatively charged acene-edge-type hydrocarbon and phenanthrene-edge-type hydrocarbon crystals was studied. Orbital vibronic coupling constants characterized by intramolecular properties were calculated for the crystals. Electron-phonon coupling constants decreased with an increase in the number of carbon atoms in both the hydrocarbons. Lowest unoccupied molecular orbitals (LUMO) of acene-edge-type hydrocarbons were found to possess a nonbonding character and were incapable to strongly couple to the totally symmetric vibrational modes as compared to the LUMO of phenanthrene-edge-type hydrocarbons.
All Science Journal Classification (ASJC) codes
- Physics and Astronomy(all)
- Physical and Theoretical Chemistry