Published in
American Institute of Physics, The Journal of Chemical Physics, 24(142), p. 244311, 2015
DOI: 10.1063/1.4922920
Links
- American Institute of Physics
- [arxiv.org] | PDF
- [edoc.unibas.ch]
- [arxiv.org] | PDF
- [edoc.unibas.ch] | PDF
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Electronic spectra of linear HC$_5$H and cumulene carbene H$_2$C$_5$
,
Jan Fulara,
Surajit Maity,
Adam Nagy,
John P. Maier
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Abstract
The $1 ^3Σ_u^- ← X^3Σ_g^-$ transition of linear HC$_5$H (A) has been observed in a neon matrix and gas phase. The assignment is based on mass-selective experiments, extrapolation of previous results of the longer HC$_{2n+1}$H homologues, and density functional and multi-state CASPT2 theoretical methods. Another band system starting at 303 nm in neon is assigned as the $1 ^1 A_1 ← X ^1 A_1$ transition of the cumulene carbene pentatetraenylidene H$_2$C$_5$ (B). ; Comment: 7 pages, 4 figures, 5 tables