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The Pure Rotational Spectra of the Open-Shell Diatomic Molecules PbI and SnI

Lookup NU author(s): Dr Nick WalkerORCiD, Dr Daniel Zaleski, Dr Su Stephens



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 2Π1/2 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

Publication metadata

Author(s): Evans CJ, Dickens L-M.E, Walker NR, Köckert H-J, Zaleski DP, Stephens SL

Publication type: Article

Publication status: Published

Journal: Journal of Chemical Physics

Year: 2015

Volume: 143

Issue: 24

Print publication date: 28/12/2015

Online publication date: 28/12/2015

Acceptance date: 02/10/2015

Date deposited: 04/01/2016

ISSN (print): 0021-9606

ISSN (electronic): 1089-7690

Publisher: AIP Publishing LLC


DOI: 10.1063/1.4938247


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Funder referenceFunder name
Newcastle University
CPFTMW-307000European Research Council