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Electronic spectra of linear HC₅H and cumulene carbene H₂C₅

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arxiv 1506.08720 v1 pith:F2W5G5UP submitted 2015-06-29 physics.chem-ph astro-ph.GAastro-ph.SR

Electronic spectra of linear HC₅H and cumulene carbene H₂C₅

classification physics.chem-ph astro-ph.GAastro-ph.SR
keywords carbenecumuleneleftarrowlinearneonsigmatransitionanother
verification ladder T0 review T1 audit T2 compute T3 formal T4 reserved
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The $1 ^3\Sigma_u^- \leftarrow X^3\Sigma_g^-$ 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 $1 ^1 A_1 \leftarrow X ^1 A_1$ transition of the cumulene carbene pentatetraenylidene H$_2$C$_5$ (B).

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