The pure rotational spectrum of ZnS (X1Σ+)

Autor: Lindsay N. Zack, Lucy M. Ziurys
Rok vydání: 2009
Předmět:
Zdroj: Journal of Molecular Spectroscopy. 257:213-216
ISSN: 0022-2852
DOI: 10.1016/j.jms.2009.08.009
Popis: The pure rotational spectrum of ZnS (X 1 R + ) has been measured using direct-absorption millimeter/sub- millimeter techniques in the frequency range 372-471 GHz. This study is the first spectroscopic investi- gation of this molecule. Spectra originating in four zinc isotopologues ( 64 ZnS, 66 ZnS, 68 ZnS, and 67 ZnS) were recorded in natural abundance in the ground vibrational state, and data from the v = 1 state were also measured for the two most abundant zinc species. Spectroscopic constants have been subsequently determined, and equilibrium parameters have been estimated. The equilibrium bond length was calcu- lated to be re� 2.0464 A, which agrees well with theoretical predictions. In contrast, the dissociation energy of DE� 3.12 eV calculated for ZnS, assuming a Morse potential, was significantly higher than past experimental and theoretical estimates, suggesting diabatic interaction with other potentials that lower the effective dissociation energy. Although ZnS is isovalent with ZnO, there appear to be subtle differ- ences in bonding between the two species, as suggested by their respective force constants and bond length trends in the 3d series.
Databáze: OpenAIRE