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Internuclear distance and effects of Born-Oppenheimer breakdown for PtS, determined from its pure rotational spectrum

TitleInternuclear distance and effects of Born-Oppenheimer breakdown for PtS, determined from its pure rotational spectrum
Publication TypeJournal Article
Year of Publication2004
AuthorsCooke, SA, Gerry, MCL
JournalJournal of Chemical Physics
Volume121
Pagination3486-3494
Date PublishedAug
Type of ArticleArticle
ISBN Number0021-9606
KeywordsBISMUTH IODIDE BII, COUPLING CASE C, DIATOMIC-MOLECULES, DUNHAM COEFFICIENTS, ELECTRIC-DIPOLE MOMENT, EMISSION-SPECTROSCOPY, FIELD SHIFT, FOURIER-TRANSFORM SPECTROSCOPY, HYPERFINE CONSTANTS, NUCLEAR-CHARGE, RADII
Abstract

Platinum monosulfide PtS has been prepared in its X0(+) ground electronic state by laser ablation of Pt in the presence of H2S. The rotational spectra of eight isotopic species have been measured with a cavity pulsed jet Fourier-transform microwave spectrometer. Spectral analysis using a multi-isotopomer Dunham-type expression produced values for Y-01, Y-02, Y-11, and Y-21, along with large values for Born-Oppenheimer breakdown (BOB) parameters for both atoms of the molecule. The BOB parameters are rationalized in terms of the molecular electronic structure and nuclear field shift effects. A large negative Pt-195 nuclear spin-rotation constant has been rationalized in terms of the electron-nucleus dipole-dipole hyperfine constant. The equilibrium bond length in the Born-Oppenheimer approximation has been evaluated. (C) 2004 American Institute of Physics.

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