Details
| Original language | English |
|---|---|
| Pages (from-to) | 2078-2088 |
| Number of pages | 11 |
| Journal | Physical Chemistry Chemical Physics |
| Volume | 10 |
| Issue number | 15 |
| Publication status | Published - 2008 |
Abstract
The pure rotational spectra of 41 isotopic species of PbSe and PbTe have been measured in their X1Σ+ electronic state with a resonator pulsed-jet Fourier transform microwave spectrometer. The molecules were prepared by laser ablation of suitable target rods and stabilised in supersonic jets of noble gas. Global multi-isotopologue analyses yielded spectroscopic Dunham parameters Y01, Y11, Y21, Y31, Y02, and Y12 for both species, as well as effective Born-Oppenheimer breakdown (BOB) coefficients δ01 for Pb, Se and Te. Unusual large values of the BOB parameters for Pb have been rationalized in terms of finite nuclear size (field shift) effect. A direct fit of the same data sets to an appropriate radial Hamiltonian yielded analytic potential energy functions and BOB radial functions for the X 1Σ+ electronic state of both PbSe and PbTe. Additionally, the magnetic hyperfine interactions produced by the uneven mass number A nuclei 207Pb, 77Se, 123Te, and 125Te were observed, yielding first determinations of the corresponding nuclear spin-rotation coupling constants.
ASJC Scopus subject areas
- Physics and Astronomy(all)
- General Physics and Astronomy
- Chemistry(all)
- Physical and Theoretical Chemistry
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In: Physical Chemistry Chemical Physics, Vol. 10, No. 15, 2008, p. 2078-2088.
Research output: Contribution to journal › Article › Research › peer review
}
TY - JOUR
T1 - Pure rotational spectra of PbSe and PbTe
T2 - Potential function, Born-Oppenheimer breakdown, field shift effect and magnetic shielding
AU - Giuliano, Barbara M.
AU - Bizzocchi, Luca
AU - Cooke, Stephen
AU - Banser, Deike
AU - Hess, Mareike
AU - Fritzsche, Juliane
AU - Grabow, Jens Uwe
PY - 2008
Y1 - 2008
N2 - The pure rotational spectra of 41 isotopic species of PbSe and PbTe have been measured in their X1Σ+ electronic state with a resonator pulsed-jet Fourier transform microwave spectrometer. The molecules were prepared by laser ablation of suitable target rods and stabilised in supersonic jets of noble gas. Global multi-isotopologue analyses yielded spectroscopic Dunham parameters Y01, Y11, Y21, Y31, Y02, and Y12 for both species, as well as effective Born-Oppenheimer breakdown (BOB) coefficients δ01 for Pb, Se and Te. Unusual large values of the BOB parameters for Pb have been rationalized in terms of finite nuclear size (field shift) effect. A direct fit of the same data sets to an appropriate radial Hamiltonian yielded analytic potential energy functions and BOB radial functions for the X 1Σ+ electronic state of both PbSe and PbTe. Additionally, the magnetic hyperfine interactions produced by the uneven mass number A nuclei 207Pb, 77Se, 123Te, and 125Te were observed, yielding first determinations of the corresponding nuclear spin-rotation coupling constants.
AB - The pure rotational spectra of 41 isotopic species of PbSe and PbTe have been measured in their X1Σ+ electronic state with a resonator pulsed-jet Fourier transform microwave spectrometer. The molecules were prepared by laser ablation of suitable target rods and stabilised in supersonic jets of noble gas. Global multi-isotopologue analyses yielded spectroscopic Dunham parameters Y01, Y11, Y21, Y31, Y02, and Y12 for both species, as well as effective Born-Oppenheimer breakdown (BOB) coefficients δ01 for Pb, Se and Te. Unusual large values of the BOB parameters for Pb have been rationalized in terms of finite nuclear size (field shift) effect. A direct fit of the same data sets to an appropriate radial Hamiltonian yielded analytic potential energy functions and BOB radial functions for the X 1Σ+ electronic state of both PbSe and PbTe. Additionally, the magnetic hyperfine interactions produced by the uneven mass number A nuclei 207Pb, 77Se, 123Te, and 125Te were observed, yielding first determinations of the corresponding nuclear spin-rotation coupling constants.
UR - http://www.scopus.com/inward/record.url?scp=41549102527&partnerID=8YFLogxK
U2 - 10.1039/b716896a
DO - 10.1039/b716896a
M3 - Article
AN - SCOPUS:41549102527
VL - 10
SP - 2078
EP - 2088
JO - Physical Chemistry Chemical Physics
JF - Physical Chemistry Chemical Physics
SN - 1463-9076
IS - 15
ER -