skip to main content

Title: The pure rotational spectra of the open-shell diatomic molecules PbI and SnI

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 {sup 2}Π{sub 1/2} 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 Y{sub 01}, Y{sub 02}, Y{sub 11}, and Y{sub 21}, 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.
Authors:
;  [1] ; ; ; ;  [2]
  1. Department of Chemistry, University of Leicester, Leicester LE1 7RH (United Kingdom)
  2. School of Chemistry, Newcastle University, Newcastle upon Tyne NE1 7RU (United Kingdom)
Publication Date:
OSTI Identifier:
22493408
Resource Type:
Journal Article
Resource Relation:
Journal Name: Journal of Chemical Physics; Journal Volume: 143; Journal Issue: 24; Other Information: (c) 2015 AIP Publishing LLC; Country of input: International Atomic Energy Agency (IAEA)
Country of Publication:
United States
Language:
English
Subject:
37 INORGANIC, ORGANIC, PHYSICAL AND ANALYTICAL CHEMISTRY; BOND LENGTHS; BORN-OPPENHEIMER APPROXIMATION; COUPLING CONSTANTS; ELECTRIC DIPOLE MOMENTS; ELECTRONS; FOURIER TRANSFORMATION; GHZ RANGE; GROUND STATES; HYPERFINE STRUCTURE; MICROWAVE RADIATION; MICROWAVE SPECTRA; MOLECULES; TIN; TIN IODIDES; VIBRATIONAL STATES