The dynamics of excited states in α,ω-dinaphthylpolyyne, a class of linear sp-carbon chains, has been investigated by ultrafast transient absorption spectroscopy and DFT//TDDFT calculations. We show that the role of molecular conformers, in which end-capped naphthalene rings are planar or perpendicular to the polyyne plane, is fundamental for understanding both the steady state properties, such as UV-Vis absorption spectra and vibronic transitions, and the ultrafast transient absorption features. In particular, we observed in one of the conformers the ultrafast formation of a narrow photo-induced absorption band rising within 30 ps. This band can be assigned to an inter-system crossing event leading to the formation of triplet excited states.
|Titolo:||Ultrafast spectroscopy of linear carbon chains : the case of dinaphthylpolyynes|
|Parole Chiave:||Physical and Theoretical Chemistry; Physics and Astronomy (all)|
|Settore Scientifico Disciplinare:||Settore FIS/03 - Fisica della Materia|
|Data di pubblicazione:||2013|
|Digital Object Identifier (DOI):||10.1039/c3cp50508a|
|Appare nelle tipologie:||01 - Articolo su periodico|