Electronic spectra of linear HC5H and cumulene carbene H2C5.

The Journal of chemical physics (2015-07-03)
Mathias Steglich, Jan Fulara, Surajit Maity, Adam Nagy, John P Maier
ABSTRACT

The 1(3)Σu (-)←X(3)Σg (-) transition of linear HC5H (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 HC2n+1H 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)A1←X˜(1)A1 transition of the cumulene carbene pentatetraenylidene H2C5 (B).

MATERIALS
Product Number
Brand
Product Description

Sigma-Aldrich
Xenon-132Xe, 60 atom %
Sigma-Aldrich
Xenon-132Xe, 99.5 atom %

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