Energy of the quasi-free electron in H{sub 2}, D{sub 2}, and O{sub 2}: Probing intermolecular potentials within the local Wigner-Seitz model

Journal Article · Mon Dec 14 00:00:00 EST 2015 · Journal of Chemical Physics

DOI:https://doi.org/10.1063/1.4936627· OSTI ID:22493313

Krynski, Kamil ^[1]; Streeter, Zachary

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1. Department of Chemistry and Biochemistry, Queens College – CUNY, Flushing, New York 11367 (United States)

We present for the first time the quasi-free electron energy V{sub 0}(ρ) for H{sub 2}, D{sub 2}, and O{sub 2} from gas to liquid densities, on noncritical isotherms and on a near critical isotherm in each fluid. These data illustrate the ability of field enhanced photoemission (FEP) to determine V{sub 0}(ρ) accurately in strongly absorbing fluids (e.g., O{sub 2}) and fluids with extremely low critical temperatures (e.g., H{sub 2} and D{sub 2}). We also show that the isotropic local Wigner-Seitz model for V{sub 0}(ρ) — when coupled with thermodynamic data for the fluid — can yield optimized parameters for intermolecular potentials, as well as zero kinetic energy electron scattering lengths.

• OSTI ID: 22493313
• Journal Information: Journal of Chemical Physics, Vol. 143, Issue 22; Other Information: (c) 2015 AIP Publishing LLC; Country of input: International Atomic Energy Agency (IAEA); ISSN 0021-9606
• Country of Publication: United States
• Language: English

Related Subjects

37 INORGANIC
ORGANIC
PHYSICAL AND ANALYTICAL CHEMISTRY
CRITICAL TEMPERATURE
DENSITY
DEUTERIUM
ELECTRONS
HYDROGEN
ISOTHERMS
KINETIC ENERGY
LIQUIDS
OXYGEN
PHOTOEMISSION
POTENTIALS
PROBES
SCATTERING LENGTHS
WIGNER-SEITZ METHOD
YIELDS