Electronic Spectroscopy of a C7H4+ Isomer in a Neon Matrix: Methyltriacetylene Cation
Arghya Chakraborty A , Jan Fulara A and John P. Maier A B
+ Author Affiliations
- Author Affiliations
A Department of Chemistry, University of Basel, Klingelbergstarasse 80, CH-4056, Basel, Switzerland.
B Corresponding author. Email: j.p.maier@unibas.ch
Australian Journal of Chemistry 67(3) 416-419 https://doi.org/10.1071/CH13467
Submitted: 5 September 2013 Accepted: 7 October 2013 Published: 24 October 2013
Abstract
Absorptions commencing at 602.6 nm are detected following deposition of mass-selected C7H4+ in a 6 K neon matrix produced from a 1 : 1 mixture of diacetylene and propyne in an ion source. The 602.6 nm system, and a weaker one near 421.1 nm, are assigned to the A 2E ← X 2E and B 2E ← X 2E electronic transitions of methyltriacetylene cation (C3V symmetry), based on mass-selection, spectroscopic analysis of the vibrational structure, and the excitation energies calculated with CASPT2. Structured fluorescence is detected in the 600–760 nm range upon laser excitation at wavelengths of the CH3C6H+ absorptions. The vibrational bands observed in the absorption and fluorescence spectra are assigned with the aid of calculated frequencies of the totally symmetric (a1) vibrations of methyltriacetylene cation.
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