High resolution infrared spectra of the linear carbon cluster C(7): the nu(4) stretching fundamental band and associated hot bands

• Published in: The Journal of chemical physics 2007-07, Vol.127 (1), p.014313-014313
• Main Authors: Neubauer-Guenther, P, Giesen, T F, Schlemmer, S, Yamada, K M T
• Format: Article
• Language: English
• ISSN: 0021-9606
• DOI: 10.1063/1.2749520

High resolution infrared spectra of the nu(4) fundamental antisymmetric stretching mode and associated hot bands of the linear carbon cluster C(7) were recorded using a tunable diode laser spectrometer in the frequency range of 2135-2141 cm(-1). Spectra of the nu(4) fundamental, nu(4)+nu(11)-nu(11), nu(4)+2nu(11)-2nu(11), and nu(4)+nu(8)-nu(8), bands have been analyzed and are compared to recent experimental results and high level ab initio calculations. In particular, the presented results give experimental evidence for the rigidity of C(7) and confirm theoretical predictions of a rather regular chain molecule, similar to the cases of C(4), C(5), and C(9). For the two energetically low-lying bending modes, nu(8) and nu(11), the rotational constants differ by less than 0.2%, from the ground state value, B(0)=0.030 624 4(28) cm(-1), in good agreement with the recent calculations by Botschwina [Chem. Phys. Lett. 354, 148 (2002)]. From the hot band analysis and the [script-l]-type doubling constant q, experimental values for the band origins of the nu(8) and nu(11) fundamentals have been derived.