Details

Autor(en) / Beteiligte

• Tretiak, S
• Saxena, A
• Martin, R L
• Bishop, A R

Titel

Conformational dynamics of photoexcited conjugated molecules

Ist Teil von

• Physical review letters, 2002-08, Vol.89 (9), p.097402-097402, Article 097402

Ort / Verlag

United States

Erscheinungsjahr

2002

Quelle

PROLA - Physical Review Online Archive

Beschreibungen/Notizen

• Time-dependent photoexcitation and optical spectroscopy of pi-conjugated molecules is described using a new method for the simulation of excited state molecular dynamics in extended molecular systems with sizes up to hundreds of atoms. Applications are made to poly(p-phenylene vinylene) oligomers. Our analysis shows self-trapping of excitations on about six repeat units in the course of photoexcitation relaxation, identifies specific slow (torsion) and fast (bond-stretch) nuclear motions strongly coupled to the electronic degrees of freedom, and predicts spectroscopic signatures of molecular conformations.