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Electronic absorption spectra of linear C6Br and C6Br+ in neon matrices

Karol Filipkowski, and Jan Fulara, and John P. Maier, . (2015) Electronic absorption spectra of linear C6Br and C6Br+ in neon matrices. Journal of molecular spectroscopy, Vol. 311 , special issue. pp. 64-68.

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Official URL: http://edoc.unibas.ch/dok/A6381770

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Abstract

Electronic absorption spectra of linear C6Br+ and C6Br have been recorded in 6 K neon matrices. Two strong absorption systems starting at 555.1 nm and 539.3 nm are assigned to the 1 2Π ← X 2Π electronic transition of C6Br, and 1 3Σ− ← X 3Σ− of C6Br+. Excitation of normal modes along with overtones and combination bands in the excited electronic state are observed. Assignments are based on mass-selection, photobleaching behavior, comparison with the known electronic transitions of linear C6Cl and C6Cl+, and excitation energies obtained with CASPT2 and SAC-CI theory as well as on computed vibrational frequencies.
Faculties and Departments:05 Faculty of Science > Departement Chemie > Chemie > Physikalische Chemie (Maier)
UniBasel Contributors:Maier, John Paul and Filipkowski, Karol and Fulara, Jan
Item Type:Article, refereed
Article Subtype:Research Article
Bibsysno:Link to catalogue
Publisher:Academic Press
ISSN:0022-2852
Note:Publication type according to Uni Basel Research Database: Journal article
Identification Number:
Last Modified:05 Jun 2015 08:53
Deposited On:05 Jun 2015 08:53

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