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

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Abstract

The internuclear distance and effects of Born-Oppenheimer breakdown for platinum monosulfide (PtS) were investigated using a cavity pulsed jet Fourier-transform microwave spectrometer. The spectral analysis using a multi-isotopomer Dunham-type expression produced values for Y01, Y02, Y11, and Y21, along with large values for Born-Oppenheimer breakdown (BOB) parameters for both atoms of the molecule. The BOB parameters were rationalized in terms of the molecular electronic structure and nuclear field shift effects. The equilibrium bond length was also evaluated along with the vibrational frequency and dissociation energy.

Original languageEnglish
Pages (from-to)3486-3494
Number of pages9
JournalJournal of Chemical Physics
Volume121
Issue number8
DOIs
StatePublished - Aug 22 2004

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