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  Infrared Photodissociation Spectroscopy of C4N, C6N and C8N

Stanca‐Kaposta, E. C., Schwaneberg, F., Fagiani, M. R., Lalanne, M., Wöste, L., & Asmis, K. R. (2016). Infrared Photodissociation Spectroscopy of C4N, C6N and C8N. ChemPhysChem, 17(22), 3783-3789. doi:10.1002/cphc.201600598.

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Stanca‐Kaposta, E. Cristina1, Author
Schwaneberg, Falko1, Author
Fagiani, Matias Ruben2, 3, Author              
Lalanne, Matthieu1, Author
Wöste, Ludger1, Author
Asmis, Knut R.2, 3, Author              
Affiliations:
1Fachbereich Physik, Institut für Experimentalphysik, Freie Universität Berlin, Berlin, Germany, ou_persistent22              
2Molecular Physics, Fritz Haber Institute, Max Planck Society, ou_634545              
3Wilhelm-Ostwald-Institut für Physikalische und Theoretische Chemie, Universität Leipzig, ou_persistent22              

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 Abstract: The gas-phase vibrational spectroscopy of cold C2nN (n=2–4) anions is investigated in the CC and CN multiple bond stretching region (1700–2250 cm−1) by means of infrared photodissociation (IRPD) spectroscopy in a cryogenically cooled ion trap of the corresponding messenger-tagged complexes. The IRPD spectra are assigned to N-terminated linear structures with triplet ground states (3Σ) based on a comparison with harmonic vibrational frequencies and intensities from density functional theory computations. In contrast to the polyacetylenic C2n+1N anions, the linear C−C chains investigated here exhibit cumulenic character, which is most pronounced in C4N and decreases with chain length. Additional intense transitions are observed for C6N above 3000 cm−1 and are attributed to overtone and combination bands involving the CC stretching modes, based on anharmonic computations. The influence of a D2 tag on the vibrational features of C2nN anions is shown to be small.

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Language(s): eng - English
 Dates: 2016-06-042016-07-052016-11-22
 Publication Status: Published online
 Pages: 7
 Publishing info: -
 Table of Contents: -
 Rev. Type: Peer
 Identifiers: DOI: 10.1002/cphc.201600598
 Degree: -

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Title: ChemPhysChem
Source Genre: Journal
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Publ. Info: Weinheim, Germany : Wiley-VCH
Pages: - Volume / Issue: 17 (22) Sequence Number: - Start / End Page: 3783 - 3789 Identifier: ISSN: 1439-4235
CoNE: https://pure.mpg.de/cone/journals/resource/954925409790