The high-resolution infrared spectrum of DC4H from 450 to 1100 cm(-1): Overtone, combination, and hot bands

作者：Bizzocchi L^*; Tamassia F; Degli Esposti C; Dore L; Fusina L; Villa M; Cane E

来源：Journal of Chemical Physics, 2013, 139(15): 154308.

DOI：10.1063/1.4824656

The high-resolution infrared spectrum of monodeuterated diacetylene has been recorded in the 4501100 cm(-1) spectral region by Fourier transform infrared spectroscopy. Seven new bands have been identified: the nu(3) fundamental (C-C stretch), and the nu(8) + nu(9), nu(7) + nu(8), 2 nu(7), 2 nu(8), nu(8) + nu(9) - nu(9), and nu(6) + nu(9) - nu(9) combination, overtone, and hot bands. The assigned transitions, together with those previously reported for the fundamental bands [F. Tamassia, L. Bizzocchi, C. Degli Esposti, L. Dore, M. Di Lauro, L. Fusina, M. Villa, and E. Cane, Astron. Astrophys. 549, A38 (2013)], form a comprehensive data set which comprises more than 2500 ro-vibrational transitions, and involves all singly and most doubly excited vibrational states of DC4H lying below 1000 cm(-1). Rotational and vibrational l-type resonance effects among the sub-levels of excited bending states were considered in the analysis, which also included a careful treatment of the various anharmonic interactions coupling many vibrational states lying above 600 cm(-1). Reliable and unambiguous spectroscopic parameters were obtained for each investigated state, including the rotational and centrifugal distortion constants B-nu and D-nu, the l-type doubling parameter q(t), the anharmonicity constants x(L)(89), x(L)(69), and the vibrational l-type terms r(89), r(69) for the upsilon(8) = upsilon(9) = 1 and upsilon(6) = upsilon(9) = 1 bend-bend combination states.

• 出版日期2013-10-21