FTIR Spectrum of the ν3 Band of HCOOD

✍ Scribed by O.I. Baskakov

• Publisher: Elsevier Science
• Year: 2002
• Tongue: English
• Weight: 123 KB
• Volume: 213
• Category: Article
• ISSN: 0022-2852
• DOI: 10.1006/jmsp.2002.8523

✦ Synopsis

The Fourier transform infrared spectrum of the monodeuterated isotopic species of formic acid, HCOOD, measured with a resolution of 0.004 cm -1 has been studied in the region of the ν 3 fundamental band centered at 1772 cm -1 . In addition, IR transitions in the 7 1 → 5 1 7 1 and 9 1 → 5 1 9 1 hot bands have been found and assigned in the region of the ν 5 band, which was previously measured with a resolution of 0.003 cm -1 . This enabled us to increase significantly the number of experimental data. In the course of the investigation, the band centers and the rotational, centrifugal distortion, and interaction parameters of the 3 1 , 5 1 7 1 , and 5 1 9 1 coupled vibrational states have been determined. The total numbers of transitions assigned and included in the fit were 2193 for the ν 3 band, 602 for the ν 5 + ν 7 combination band, and 657 and 516 for the 7 1 → 5 1 7 1 and 9 1 → 5 1 9 1 hot bands. The standard deviation of the fit was 0.000283 cm -1 . The values obtained for the band origins are 1772.119(24) cm -1 for ν 3 , 1732.084(24) cm -1 for ν 5 + ν 7 , and 1680.962939(64) cm -1 for ν 5 + ν 9 .