Electronic absorption spectrum of a nonlinear carbon chain: trans-C6H4+.
The 2Bg-X2Au transition of a nonlinear carbon chain trans-C6H4+, and trans-C6D4+, has been observed in the gas phase. The spectra were detected in the 580 nm region by direct absorption with a cavity ringdown technique through a supersonic planar discharge. Though the rotational structure is not resolved, the band profiles were analyzed using a "total spectral fitting" procedure using ground-state constants calculated by the CASSCF and CASPT2 methods. The molecular constants in the upper state could thus be determined.
Araki
Mitsunori
M
Department of Chemistry, University of Basel, Klingelbergstrasse 80, CH-4056 Basel, Switzerland.
Motylewski
Tomasz
T
Kolek
Przemyslaw
P
Maier
John P
JP