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Zeitschrift für Physikalische Chemie

International journal of research in physical chemistry and chemical physics

Editor-in-Chief: Rademann, Klaus


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2196-7156
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Volume 229, Issue 10-12

Issues

Electronic Spectra of Corannulenic Cations and Neutrals in Neon Matrices and Protonated Corannulene in the Gas Phase at 15 K

Corey A. Rice
  • Department of Chemistry, University of Basel, Klingelbergstrasse 80, CH-4056 Basel, Switzerland
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/ Jan Fulara
  • Institute of Physics Polish Academy of Sciences, Al. Lotników, 32/46, PL-02-668, Warsaw, Poland
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/ Iryna Garkusha
  • Department of Chemistry, University of Basel, Klingelbergstrasse 80, CH-4056 Basel, Switzerland
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/ Ádám Nagy
  • Department of Chemistry, University of Basel, Klingelbergstrasse 80, CH-4056 Basel, Switzerland
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/ François-Xavier Hardy
  • Department of Chemistry, University of Basel, Klingelbergstrasse 80, CH-4056 Basel, Switzerland
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/ Oliver Gause
  • Department of Chemistry, University of Basel, Klingelbergstrasse 80, CH-4056 Basel, Switzerland
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/ John P. Maier
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  • Department of Chemistry, University of Basel, Klingelbergstrasse 80, CH-4056 Basel, Switzerland
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Published Online: 2015-07-03 | DOI: https://doi.org/10.1515/zpch-2015-0598

Abstract

Three absorption systems starting at 624.1, 601.2, and 590.0 nm were detected in a 6 K neon matrix following deposition of mass selected m/z = 250 ions produced from corannulene vapour in a hot cathode ion source. The two latter systems were also observed after deposition of neutral corannulene in solid neon with concomitant bombardment of the matrix with argon ions. The features in the absorption spectrum are assigned to the 42A′′  ←  X2A′′ transition of cylobutadieno-benzo[ghi]fluoranthene cation and to the 32A′  ←  X2A′′ and 32A′′  ←  X2A′ transitions of two Jahn-Teller structures of bowl-shaped corannulene cations, respectively. The assignment is based on excitation energies calculated with the SAC-CI and CASPT2 methods. The electronic absorption spectrum of protonated corannulene has onsets at 515.1 and 398.8 nm in a neon matrix, following deposition of a mass-selected beam produced by reactions of corannulene with EtOH2+. The absorptions are assigned, on the basis of theoretical predictions, to the 3,41A  ←  X1A transitions. The electronic spectrum was also recorded in the gas phase using a resonant multiphoton fragmentation technique in an ion trap at vibrational and rotational temperatures of 15 K. The 3,41A  ←  X1A transitions are observed with origin bands at 521 ± 1 nm and 396.4 ± 0.1 nm. The 31A excited electronic state indicates fast internal conversion of ≈ 5 fs, while the 41A state has a lifetime of ≈ 0.2 ps. A distinct vibrational pattern is discernible in the 41A  ←  X1A transition.

This article offers supplementary material which is provided at the end of the article.

Keywords: Electronic Spectroscopy; Matrix Absorption Spectroscopy; Corannulene Cation; Protonated Corannulene; Ion Traps

Supplementary material

the online version of this article (DOI: 10.1515/zpch-2015-0598) provides supplementary material for authorized users.

About the article

Accepted: 2015-06-14

Received: 2015-03-20

Published Online: 2015-07-03

Published in Print: 2015-10-28


Citation Information: Zeitschrift für Physikalische Chemie, Volume 229, Issue 10-12, Pages 1709–1728, ISSN (Online) 2196-7156, ISSN (Print) 0942-9352, DOI: https://doi.org/10.1515/zpch-2015-0598.

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