High resolution FTIR spectrum of the v6 band of deuterated formic acid (DCOOH)

Abstract

The high resolution FTIR spectrum of the v6 band of DCOOH has been measured with a resolution of 0.004 cm-1 in the spectral range of 920-1020 cm-1. The v6 band was found to be perturbed by the neighbouring v8 band situated at about 100 cm-1 lower. Using a Watson's A-reduced Hamiltonian in the F representation, and with the inclusion of a-, and b-Coriolis coupling constants, a simultaneous fit of v6 and v8 was performed, fitting a total of 1656 infrared transitions of v6 with an rms uncertainty of 0.00038 cm-1. A set of accurate rovibrational constants for v6 were obtained. The v6 band was analysed to be primarily A-typed with a band centre at 970.88931 ± 0.00003 cm-1. © 1999 Elsevier Science B.V. All rights reserved.