We perform a systematic investigation of the resonance and vibrational properties of naphthyl-terminated sp carbon chains (dinaphthylpolyynes) by combined multi-wavelength resonant Raman (MWRR) spectroscopy, ultraviolet-visible spectroscopy, and Fourier-transform infrared (FT-IR) spectroscopy, plus ab initio density functional theory (DFT) calculations. We show that the MWWR and FT-IR spectroscopies are particularly suited to identify chains of different lengths and different terminations, respectively. By DFT calculations, we further extend those findings to sp carbon chains end-capped by other organic structures. The present analysis shows that combined MWRR and FT-IR provide a powerful tool to draw a complete picture of chemically stabilized sp carbon chains. © 2011 American Institute of Physics.

Cinquanta, E., Ravagnan, L., Castelli, I., Cataldo, F., Manini, N., Onida, G., et al. (2011). Vibrational characterization of dinaphthylpolyynes: A model system for the study of end-capped sp carbon chains. THE JOURNAL OF CHEMICAL PHYSICS, 135(19), 194501 [10.1063/1.3660211].

Vibrational characterization of dinaphthylpolyynes: A model system for the study of end-capped sp carbon chains

CINQUANTA, EUGENIO LUIGI;
2011

Abstract

We perform a systematic investigation of the resonance and vibrational properties of naphthyl-terminated sp carbon chains (dinaphthylpolyynes) by combined multi-wavelength resonant Raman (MWRR) spectroscopy, ultraviolet-visible spectroscopy, and Fourier-transform infrared (FT-IR) spectroscopy, plus ab initio density functional theory (DFT) calculations. We show that the MWWR and FT-IR spectroscopies are particularly suited to identify chains of different lengths and different terminations, respectively. By DFT calculations, we further extend those findings to sp carbon chains end-capped by other organic structures. The present analysis shows that combined MWRR and FT-IR provide a powerful tool to draw a complete picture of chemically stabilized sp carbon chains. © 2011 American Institute of Physics.
Articolo in rivista - Articolo scientifico
Raman spectroscopy, infrared spectroscopy, DFT simulations, sp carbon atomic chains
English
194501
Copyright (2011) American Institute of Physics
Cinquanta, E., Ravagnan, L., Castelli, I., Cataldo, F., Manini, N., Onida, G., et al. (2011). Vibrational characterization of dinaphthylpolyynes: A model system for the study of end-capped sp carbon chains. THE JOURNAL OF CHEMICAL PHYSICS, 135(19), 194501 [10.1063/1.3660211].
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Utilizza questo identificativo per citare o creare un link a questo documento: https://hdl.handle.net/10281/26088
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