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A molecular beam Fourier transform microwave study of 2-methylpyridine and its complex with argon: structure, methyl internal rotation and N-14 nuclear quadrupole coupling
2004 (English)In: Molecular Physics, ISSN 0026-8976, E-ISSN 1362-3028, Vol. 102, no 14-15, 1625-1639 p.Article in journal (Refereed) Published
Abstract [en]

The rotational spectrum of 2-methylpyridine (alpha-picoline, CH3C5H4N) in the two lowest levels of methyl internal rotation (m = 0, +/-1) has been recorded in the frequency range from 2 to 15 GHz using a molecular beam Fourier transform microwave spectrometer. The high resolution and sensitivity of this spectroscopic technique allowed resolution of hyperfine structures due to N-14 nuclear quadrupole coupling with high accuracy and detection of the spectra of the N-15- and all C-13-isotopomers. These investigations considerably extend the results from an earlier study on the normal species (DREIZLER, H., RUDOLPH, H. D., and MADER, H., 1970, Z. Naturforsch., 25a, 25); improved rotational and centrifugal distortion constants as well as all components of the N-14 quadrupole coupling tensor have been obtained. Analysis of the spectra of the isotopomers yielded the N-14 quadrupole coupling constants X,c and chi(aa) - chi(bb) (for the C-13 species), the potential parameter V-3 for the barrier hindering the internal rotation of the methyl group, and, in particular, r(o), r(s), r(m)((1)) and r(m)((2)) structural parameters for the molecule. In addition to the microwave studies on the monomer, we have also investigated the rotational spectrum of the weakly bound dimer of normal 2-methylpyridine with Ar. The results obtained for the quadrupole coupling constants and the hindering potential for the internal methyl rotation show that the corresponding parameters are not significantly, or only slightly, changed in the complex.

Place, publisher, year, edition, pages
2004. Vol. 102, no 14-15, 1625-1639 p.
Keyword [en]
Argon, Complexation, Dimers, Electron energy levels, Fourier transforms, Microwaves, Molecular dynamics, Nitrogen, Spectroscopic analysis
National Category
Physical Sciences
Identifiers
URN: urn:nbn:se:kth:diva-26961DOI: 10.1080/00268970410001725860ISI: 000225105500013OAI: oai:DiVA.org:kth-26961DiVA: diva2:373355
Note
QC 20101130Available from: 2010-11-30 Created: 2010-11-30 Last updated: 2017-12-12Bibliographically approved
In thesis
1. Molecular beam Fourier transform microwave studies of molecular complexes
Open this publication in new window or tab >>Molecular beam Fourier transform microwave studies of molecular complexes
2005 (English)Licentiate thesis, comprehensive summary (Other scientific)
Place, publisher, year, edition, pages
Stockholm: KTH, 2005. vii, 37 p.
Series
Trita-FYS, ISSN 0280-316X ; 2005:32
National Category
Physical Sciences
Identifiers
urn:nbn:se:kth:diva-4075 (URN)
Note
QC 20110114Available from: 2006-08-17 Created: 2006-08-17 Last updated: 2011-01-14Bibliographically approved

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