Analyses of the high-resolution infrared absorption spectra of the upsilon(2) and upsilon(3) bands of deuterated hydrazoic acid (DN3)

The infrared absorption spectra of the wavenumber regions including the v(3) and v(2) fundamental bands of DN3 have been recorded with a spectral resolution of 0.003 cm(-1). In the region between 1105 and 1311 cm(-1) the transitions observed are due to v(3) and the overtone band 2v(6) and in the region between 2065 and 2220 cm(-1) the transitions observed are due to v(2) and the combination bands v(3) + v(4), v(3) + 2v(5), and v(4) + 2v(6). All transitions observed are characterized by Delta K-a = 0. Each of the 32 subbands assigned has been analyzed separately, yielding values for the rotational parameters and subband centers of the individual vibrational energy levels. As strong perturbation effects are observed, it has been possible to calculate values for the Coriolis coupling constant zeta(56)(a) and the cubic anharmonic force constant k(366). The assigned transitions have been used to calculate the vibrational ground state parameters by means of a combination difference analysis. (C) 1996 Academic Press, Inc.