title: Electronic transitions of C5H(+) and C5H: neon matrix and CASPT2 studies.
abstract: Two electronic transitions at 512.3 and 250 nm of linear-C5H(+) are detected following mass-selective deposition of m/z = 61 cations into a 6 K neon matrix and assigned to the 1 (1)Π←X (1)Σ(+) and 1 (1)Σ(+)←X (1)Σ(+) systems. Five absorption systems of l-C5H with origin bands at 528,7, 482.6, 429.0, 368.5, and 326.8 nm are observed after neutralization of the cations in the matrix and identified as transitions from the X (2)Π to 1 (2)Δ, 1 (2)Σ (-), 1 (2)Σ(+), 2 (2)Π, and 3 (2)Π electronic states. The assignment to specific structures is based on calculated excitation energies, vibrational frequencies in the electronic states, along with simulated Franck-Condon profiles.
authors.affiliation: Department of Chemistry, University of Basel, Klingelbergstarasse 80, CH-4056 Basel, Switzerland.
authors.forename: Jan
authors.initials: J
authors.lastname: Fulara
authors.affiliation: Department of Chemistry, University of Basel, Klingelbergstarasse 80, CH-4056 Basel, Switzerland.
authors.forename: Adam
authors.initials: A
authors.lastname: Nagy
authors.affiliation: Department of Chemistry, University of Basel, Klingelbergstarasse 80, CH-4056 Basel, Switzerland.
authors.forename: Arghya
authors.initials: A
authors.lastname: Chakraborty
authors.affiliation: Department of Chemistry, University of Basel, Klingelbergstarasse 80, CH-4056 Basel, Switzerland.
authors.forename: John P
authors.initials: JP
authors.lastname: Maier