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High-resolution Fourier transform study of the .nu.(3) fundamental band of trans-formic acid
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SYSNO ASEP 0326824 Document Type J - Journal Article R&D Document Type Journal Article Subsidiary J Článek ve WOS Title High-resolution Fourier transform study of the .nu.(3) fundamental band of trans-formic acid Title Vysoce rozlišené Fourier-trasform studie základního pásu .nu.(3) trans izomeru kyseliny mravenčí Author(s) Perrin, A. (FR)
Vander Auwera, J. (BE)
Zelinger, Zdeněk (UFCH-W) RID, ORCIDSource Title Journal of Quantitative Spectroscopy and Radiative Transfer. - : Elsevier - ISSN 0022-4073
Roč. 110, 9-10 (2009), s. 743-755Number of pages 13 s. Language eng - English Country GB - United Kingdom Keywords line positions ; line intensities ; infrared ; spectroscopic database Subject RIV CF - Physical ; Theoretical Chemistry R&D Projects LC06071 GA MŠMT - Ministry of Education, Youth and Sports (MEYS) CEZ AV0Z40400503 - UFCH-W (2005-2011) UT WOS 000266181300016 DOI 10.1016/j.jqsrt.2008.09.006 Annotation Using high-resolution Fourier transform spectra of trans-HCOOH recorded at 5.6 pro, we carried out an extensive analysis of the strong nu(3) fundamental band (carbonyl stretching mode) at 1776.83 cm(-1), starting from results of a previous analysis [Weber WH Maker, PD, Johns JWC, Weinberger E. J Mol Spectrosc 1987: 121: 243-60]. As pointed out in the literature, the nu(3) band is significantly perturbed by resonances due to numerous dark bands. We were able to assign series belonging to the nu(5)+nu(7), nu(5)+nu(9,) nu(6)+nu(7) and nu(6)+nu(9) dark bands, located at 1843.48, 1792.63, 1737.96 and 1726.40cm(-1), respectively. The model used to calculate energy levels accounts partly for the observed resonances, and enabled us to reproduce most of the observed line positions, within their experimental uncertainties. We also determined absolute line intensities with an accuracy estimated to 15%. Workplace J. Heyrovsky Institute of Physical Chemistry Contact Michaela Knapová, michaela.knapova@jh-inst.cas.cz, Tel.: 266 053 196 Year of Publishing 2010
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