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.

Ultrafast spectroscopy of linear carbon chains : the case of dinaphthylpolyynes / D. Fazzi, F. Scotognella, A. Milani, D. Brida, C. Manzoni, E. Cinquanta, M. Devetta, L. Ravagnan, P. Milani, F. Cataldo, L. Lüer, R. Wannemacher, J. Cabanillas-Gonzalez, M. Negro, S. Stagira, C. Vozzi. - In: PHYSICAL CHEMISTRY CHEMICAL PHYSICS. - ISSN 1463-9076. - 15:23(2013), pp. 9384-9391.

Ultrafast spectroscopy of linear carbon chains : the case of dinaphthylpolyynes

M. Devetta;L. Ravagnan;P. Milani;C. Vozzi
2013

Abstract

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.
Physical and Theoretical Chemistry; Physics and Astronomy (all)
Settore FIS/03 - Fisica della Materia
Article (author)
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Utilizza questo identificativo per citare o creare un link a questo documento: https://hdl.handle.net/2434/258084
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