Electronic Transitions Responsible for C Diffuse Interstellar Bands.

J Phys Chem Lett

Department of Chemistry , University of Nevada, Reno , 1664 North Virginia Street , Reno , Nevada 89557-0216 , United States.

Published: January 2019

Diffuse interstellar bands (DIBs) are puzzling absorption features believed to contain critical information about molecular evolution in space. Despite the fact that C recently became the first confirmed carrier of several DIBs, the nature of the corresponding transitions is not understood. Using electronic structure methods, we show that the two strong C DIBs cannot be explained by electronic transitions to the two different excited E states or the two spin-orbit components of the lowest E state, as suggested before. We argue that the strong DIBs at 9632 and 9577 Å correspond to the cold excitations from the non-Franck-Condon region of the ground electronic state to the two components of the lowest E state split by Jahn-Teller distortion. The weak DIBs at 9428 and 9365 Å are assigned to the first vibronic transitions involving the low-energy vibrational modes and components of the lowest E electronic state.

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http://dx.doi.org/10.1021/acs.jpclett.8b03534DOI Listing

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