UV/visible spectroscopy of matrix-isolated hexa-peri-hexabenzocoronene: Interacting electronic states and astrophysical context

The Journal of Chemical Physics
G RouilléKlaus Müllen

Abstract

Absorption spectra of hexa-peri-hexabenzocoronene isolated in rare-gas matrices are reported for the wavelength range between 200 and 500 nm. Measurements were carried out in neon and in argon at 5.8 and 12.0 K, respectively. Calculations based on semiempirical models and on density-functional theory were performed to assign the observed features. The electronically excited states involved in Clar's alpha- and p-bands are identified as S(1)(B(2u)) and S(2)(B(1u)), respectively. Although the upper state associated with the beta-band is found to be a (1)E(1u) state, it remains undetermined whether it is S(3) or S(4). Structures in the beta-band are interpreted as resulting from the interaction between the (1)E(1u) state and the e(2g) vibrational manifold of S(2)(B(1u)). The new measurements are used to narrow down the wavelength ranges where the bands of hexa-peri-hexabenzocoronene should be found in the gas phase. A previous estimate of the interstellar abundance of this polycyclic aromatic hydrocarbon is discussed.

References

Sep 7, 2001·The Astrophysical Journal·F SalamaF A Musaev
Jul 23, 2004·The Journal of Chemical Physics·Gael RouilleAngela Staicu
Jul 23, 2004·The Journal of Chemical Physics·Fabrizia NegriKlaus Müllen
Jul 23, 2005·The Journal of Chemical Physics·Xiaofeng Tan, Farid Salama

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Citations

Jun 22, 2012·Journal of the American Chemical Society·J Marguerite HughesJonathan N Coleman
Mar 29, 2012·ACS Nano·We-Hyo SoeChristian Joachim
Nov 30, 2016·Physical Chemistry Chemical Physics : PCCP·Tobias BreuerGregor Witte
Jun 8, 2011·Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry·Gaël RouilléHans-Joachim Knölker
Mar 13, 2012·Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry·Christina TönshoffHolger F Bettinger
Jul 2, 2014·The Journal of Physical Chemistry. a·Caterina CocchiElisa Molinari
Nov 16, 2018·Journal of the American Chemical Society·Jesús M Fernández-GarcíaNazario Martín
Dec 21, 2019·Journal of the American Chemical Society·Javier Urieta-MoraNazario Martín

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