Infrared laser spectroscopy of jet-cooled carbon clusters: The ν5 band of linear C9

Van Orden, A.; Provencal, R. A.; Keutsch, F. N.; Saykally, R. J.
October 1996
Journal of Chemical Physics;10/15/1996, Vol. 105 Issue 15, p6111
Academic Journal
The ν5 antisymmetric stretching vibration of 1Σ+g C9 has been observed using direct infrared diode laser absorption spectroscopy of a pulsed supersonic cluster beam. Twenty-eight rovibrational transitions measured in the region of 2079–2081 cm-1 were assigned to this band. A combined least squares fit of these transitions with previously reported ν6 transitions yielded the following molecular constants for the ν5 band: ν0=2 079.673 58(17) cm-1, B″=0.014 321 4(10) cm-1, and B′=0.014 288 9(10) cm-1. The IR intensity of the ν5 band relative to ν6 was found to be 0.108±0.006. Theoretical predictions for the relative intensities vary widely depending upon the level of theory employed, and the experimental value reported here is in reasonable agreement only with the result obtained from the most sophisticated ab initio calculation considered (CCSD). © 1996 American Institute of Physics.


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