Osnabrück 2002 – scientific programme
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MO: Molekülphysik
MO 7: Poster I (Experimentelle Techniken, Spektroskopie, Cluster)
MO 7.18: Poster
Wednesday, March 6, 2002, 11:00–13:00, Schloss
Rotationally resolved A3Σ(u)− − X3Σ(g)− electronic spectra of NC5N and HC6N — •Harold Linnartz, Olga Vaizert, Pawel Cias, Lucia Grüter, Tomasz Motylewski, Muriel Wyss, Evgueni Riaplov, and John P. Maier — Institut für Physikalische Chemie, Klingelbergstrasse 80, CH 4056 Basel
The rotationally resolved A3Σ− − X3Σ−
electronic origin band spectrum of the iso-electronic carbon
chain radicals NC5N and HC6N have been observed in the
gas phase by cavity ring down spectroscopy through a supersonic
planar plasma. The origin band of NC5N is found at 22832.7(1)
cm−1 and a rotational analysis provides constants B0″
= 0.02799(4) cm−1 and B0′ = 0.02778(3) cm−1. These
are compared to the Be values predicted by DFT calculations
and show that the molecule has a linear and centro-symmetric
NCCCCCN structure [1].
The band origin of HC6N is found at 21208.60 cm−1.
The rotational constants indicate that the chain is slightly
stretched on electronic excitation, yielding B0′ = 0.02792(5)
cm−1. The results are compared with improved spectra of
the 000 A3Σu− − X3Σg− electronic
transition of the iso-electronic HC7H species.
[1] Chem. Phys. Lett. 345 (2001) 89;
[2] J. Chem. Phys. 114 (2001) 7918.