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

Journal Article · Mon Dec 28 04:00:00 EST 2015 · Journal of Chemical Physics

DOI:https://doi.org/10.1063/1.4938247· OSTI ID:22493408

Needham, Lisa-Maria E. ^[1]; Köckert, Hansjochen; Zaleski, Daniel P.; Stephens, Susanna L. ^[2]

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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)

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.

• OSTI ID: 22493408
• Journal Information: Journal of Chemical Physics, Journal Name: Journal of Chemical Physics Journal Issue: 24 Vol. 143; ISSN JCPSA6; ISSN 0021-9606
• Country of Publication: United States
• Language: English

Related Subjects

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