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Title: The pure rotational spectra of the open-shell diatomic molecules PbI and SnI
Authors: Evans, Corey J.
Needham, Lisa-Maria E.
Walker, N. R.
Köckert, H.
Zaleski, D. P.
Stephens, S. L.
First Published: 28-Dec-2015
Publisher: American Institute of Physics (AIP)
Citation: Journal of Chemical Physics, 2015, 143 (24), 244309
Abstract: Pure rotational spectra of the ground electronic states of lead monoiodide and tin monoiodide have been measured using a chirped pulsed Fourier transform microwave spectrometer over the 7-18.5 GHz region for the first time. Each of PbI and SnI has a X (2)Π1/2 ground electronic state and may have a hyperfine structure that aids the determination of the electron electric dipole moment. For each species, pure rotational transitions of a number of different isotopologues and their excited vibrational states have been assigned and fitted. A multi-isotopologue Dunham-type analysis was carried out on both species producing values for Y01, Y02, Y11, and Y21, along with Λ-doubling constants, magnetic hyperfine constants and nuclear quadrupole coupling constants. The Born-Oppenheimer breakdown parameters for Pb have been evaluated and the parameter rationalized in terms of finite nuclear field effects. Analysis of the bond lengths and hyperfine interaction indicates that the bonding in both PbI and SnI is ionic in nature. Equilibrium bond lengths have been evaluated for both species.
DOI Link: 10.1063/1.4938247
ISSN: 0021-9606
eISSN: 1089-7690
Version: Publisher Version
Status: Peer-reviewed
Type: Journal Article
Rights: Copyright © 2015 AIP Publishing LLC. This article may be downloaded for personal use only. Any other use requires prior permission of the author and AIP Publishing.The following article appeared in Journal of Chemical Physics, 2015, 143 (24), 244309 and may be found at
Appears in Collections:Published Articles, Dept. of Chemistry

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