The C̃2B3u ← X̃2B2g electronic absorption spectrum of butatriene cation in a neon matrix

Filipkowski, Karol and Fulara, Jan and Maier, John P.. (2015) The C̃2B3u ← X̃2B2g electronic absorption spectrum of butatriene cation in a neon matrix. Journal of molecular spectroscopy, 310. pp. 45-49.

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The 2B3u ← 2B2g electronic absorption of butatriene cation (BT+) has been observed in a 6 K neon matrix. The origin band lies at 511.9 nm. The electronic transition assignment is based on comparison with the photoelectron spectrum of butatriene and the vibrational frequencies of BT+ calculated with the CASPT2 (5, 6) method. Three vibrational modes of energy 207, 511 and 813 cm−1, with their overtones and combinations, are active in the 2B3u state of BT+. It is shown that the emission observed from a glow discharge of 2-butyne at 491 nm and attributed to the origin band of this electronic transition [1] of BT+ is due to another species, because the difference of 850 cm−1 to the absorption spectrum is too large. No fluorescence of BT+ was detected in the matrix and it is expected that the 2B3u electronic state relaxes non-radiatively on a fs time scale.
Faculties and Departments:05 Faculty of Science > Departement Chemie > Former Organization Units Chemistry > Physikalische Chemie (Maier)
UniBasel Contributors:Maier, John Paul and Filipkowski, Karol and Fulara, Jan
Item Type:Article, refereed
Article Subtype:Research Article
Note:Publication type according to Uni Basel Research Database: Journal article
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Last Modified:08 Jul 2016 09:59
Deposited On:24 May 2016 12:02

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