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Hyperfine constants and nuclear shieldings from the microwave spectra of FBO, CIBO, and FBS

TitleHyperfine constants and nuclear shieldings from the microwave spectra of FBO, CIBO, and FBS
Publication TypeJournal Article
Year of Publication1998
AuthorsGatehouse, B, Muller, HSP, Gerry, MCL
JournalJournal of Molecular Spectroscopy
Volume190
Pagination157-167
Date PublishedJul
Type of ArticleArticle
ISBN Number0022-2852
KeywordsBORON, CONSISTENT-FIELD CALCULATIONS, DIPOLE-MOMENT, MOLECULAR-STRUCTURE, MOLECULE, QUADRUPOLE-MOMENT, SPECTROSCOPY, SUBSTITUTION STRUCTURE, UNSTABLE, vibration-rotation analysis
Abstract

Rotational spectra of the unstable molecules FBO, CIBO, and FBS have been measured in the 8-26 GHz frequency range using a pulsed jet cavity Fourier transform microwave spectrometer. The samples were prepared by passing electric discharges through mixtures of O-2/BF3, O-2/BCl3, or OCS/BF3, respectively, entrained in Ne. Hyperfine structures in the observed transitions have been resolved and analyzed in terms of nuclear quadrupole, spin-rotation, and spin-spin interactions. The quadrupole and spin-rotation coupling constants have been used to show that the electronic environment surrounding the boron nucleus of all three species is very similar. The spin-rotation constants have been used to determine, for the first time, experimental average shieldings of the Cl, F, and B nuclei of these molecules. Ab initio Values for the nuclear shielding parameters have been calculated for comparison. (C) 1998 Academic Press.

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