High-resolution infrared and microwave study of10BF2OH and11BF2OH: the 5, 6l, 71, 8l, 91and 8191vibrationally excited states

Autor:	Agnes Perrin, Jean-Marie Flaud, M. Carvajal-Zaera, Heinrich Mäder, N. W. Larsen, Z. Dutkiewicz, F. Willaert, Jean Demaison, Hans Bürger, D. Collet
Rok vydání:	2004
Předmět:	Chemistry Infrared Biophysics Analytical chemistry High resolution Rotational–vibrational spectroscopy Condensed Matter Physics Quantum number Fourier transform infrared spectra Ab initio quantum chemistry methods Excited state Physical and Theoretical Chemistry Molecular Biology Microwave
Zdroj:	Molecular Physics. 102:1641-1652
ISSN:	1362-3028 0026-8976
DOI:	10.1080/00268970410001725756
Popis:	High-resolution (≤2.4×10−3cm−1) Fourier transform infrared spectra of gas-phase 10B-enriched isotopic and natural samples of BF2OH (difluoroboric acid) were recorded in the 400–4000 cm−1 spectral range. Starting from the results of a previous study [Collet, D., Perrin, A., Burger, H., and Flaud, J.-M., 2002, J. Molec. Spectrosc. 212, 118], which involved the v 8 10BF2 out-of-plane bending) and v9 (OH torsion) bands of 11BF2OH, it has been possible to perform the first rovibrational analysis of the v 5 10BF2 bending), v 8 , v 9 and v 8+v 9 bands of’11BF2OH, and of the v 7 (F2BO in-plane bending), v 5, and v 8+v9 bands of 11BF2OH up to very high rotational quantum numbers. In addition, microwave transitions within the 51, 61, 71 and 81 vibrational states of 11BF2OH were measured using predictions from ab initio calculations [Breidung, J., Demaison, J., D'Eu, J.-F., Margules, L., Collet, D., Mkadmi, E. B., Perrtn, A., And Thiel, W., 2004, J. Mol. S ectrosc. (in press)]. The v 5, v 8, v 9 and v 8+v 9...
Databáze:	OpenAIRE
Externí odkaz:	https://explore.openaire.eu/search/publication?articleId=doi_________::7419997152d92ae8b5b923038d0aa4e2 https://doi.org/10.1080/00268970410001725756 Zobrazit plný text záznamu