The pure rotational spectra of 18 and 21 isotopic species of GeSe and GeTe have been measured in the frequency range 5-24 GHz using a Fabry-Perot-type resonator pulsed-jet Fourier-transform microwave spectrometer. Gaseous samples of both chalcogenides were prepared by a combined dc discharge/laser ablation technique and stabilized in supersonic jets of Ne. Global multi-isotopologue analyses of the derived rotational data, together with literature high-resolution infrared data, produced very precise Dunham parameters, as well as rotational constant Born-Oppenheimer breakdown (BOB) coefficients (delta(01)) for Ge, Se, and Te. A direct fit of the same datasets to an appropriate radial Hamiltonian yielded analytic potential-energy functions and BOB radial functions for the X(1) Sigma(+) electronic state of both GeSe and GeTe. Additionally, the electric quadrupole and magnetic hyperfine interactions produced by the nuclei (73)Ge, (77)Se, and (125)Te were observed, yielding much improved quadrupole coupling constants and first determinations of the spin-rotation parameters.
Barbara M. Giuliano, Luca Bizzocchi, Raquel Sanchez, Pablo Villanueva, Vanessa Cortijo, M. Eugenia Sanz, et al. (2011). The rotational spectra, potential function, Born–Oppenheimer breakdown, and hyperfine structure of GeSe and GeTe. THE JOURNAL OF CHEMICAL PHYSICS, 135(8), 084303-084303-12 [10.1063/1.3624728].
The rotational spectra, potential function, Born–Oppenheimer breakdown, and hyperfine structure of GeSe and GeTe
GIULIANO, BARBARA MICHELA;Luca Bizzocchi;
2011
Abstract
The pure rotational spectra of 18 and 21 isotopic species of GeSe and GeTe have been measured in the frequency range 5-24 GHz using a Fabry-Perot-type resonator pulsed-jet Fourier-transform microwave spectrometer. Gaseous samples of both chalcogenides were prepared by a combined dc discharge/laser ablation technique and stabilized in supersonic jets of Ne. Global multi-isotopologue analyses of the derived rotational data, together with literature high-resolution infrared data, produced very precise Dunham parameters, as well as rotational constant Born-Oppenheimer breakdown (BOB) coefficients (delta(01)) for Ge, Se, and Te. A direct fit of the same datasets to an appropriate radial Hamiltonian yielded analytic potential-energy functions and BOB radial functions for the X(1) Sigma(+) electronic state of both GeSe and GeTe. Additionally, the electric quadrupole and magnetic hyperfine interactions produced by the nuclei (73)Ge, (77)Se, and (125)Te were observed, yielding much improved quadrupole coupling constants and first determinations of the spin-rotation parameters.I documenti in IRIS sono protetti da copyright e tutti i diritti sono riservati, salvo diversa indicazione.
