skip to main content
OSTI.GOV title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Experimental determination of repulsive potentials between alkali ions (Li$sup +$, K$sup +$, and Cs$sup +$) and hydrogen molecules (H$sub 2$ and D$sub 2$)

Abstract

Integral elastic scattering cross sections of alkali ions (Li/sup +/, K/ sup +/ , and Cs/sup +/) in collision with room temperature hydrogen molecules (H/ sub 2/ and D/sub 2/) were measured in the ion energy range 500-4000 eV. Some difference in the cross sections due to the replacement of the target gases were found in K/sup +/- and Cs/sup +/-hydrogen systems. Most of the difference can be explained by the differance of the target masses, repulsive potentials deduced from the cross sections in a usual manner are represented by the following formulas independently of the isotopes: V(R) = 345 exp(-4.31 R), 0.88 < R < 1.43; K/sup +/: V(R) = 810 exp(-3.52 R), 1.33 < R < 1.98; and Cs/sup +/ = 1110 exp(- 3.26 R), 1.55 < R < 2.25; where V(R) is in units of electron volts and R is in angstroms. (auth) We have carried out a detailed thoeretical study of the 02-11 and 03-12 near-resonant vibrational energy transfer processers which can occur during thc collision of two D/sub 2/ molecules. Assuming a collinear geometry, we have solved the collision dynamies fully quantum-mechanically, using a modified version of the Gordon program. We have investigated three differentmore » model potentials and one full ab initio potential surface. Both at high and low collision energies, the V-V transition probabilities are extremely sensitive to the particular potential surface used. We further show that nearest-atom model petentials greatly overestimate transition probabilities at high energies. Also of interest is the result that at mederate to high energies near-resonant V-V transfer probabilities are largely insensitive to the choice of a harmonic or Morse oscillator description of thc two colliding molecules. Finally we show that the simple two-state approximation appears to be remarkably accurate over a wide range of energies. (auth)« less

Authors:
;
Publication Date:
Research Org.:
Research Institute for Scientific Measurements, Tohoku University, 19-1 Sanjyo-machi, Sendai 980, Japan
OSTI Identifier:
4345589
NSA Number:
NSA-29-022380
Resource Type:
Journal Article
Journal Name:
J. Chem. Phys., v. 59, no. 12, pp. 6656-6661
Additional Journal Information:
Other Information: Orig. Receipt Date: 30-JUN-74
Country of Publication:
United States
Language:
English
Subject:
N60400* -Physics (Atomic & Molecular)-Collision Phenomena; *CESIUM IONS- ION-MOLECULE COLLISIONS; *DEUTERIUM- ION-MOLECULE COLLISIONS; *HYDROGEN- ION-MOLECULE COLLISIONS; *LITHIUM IONS- ION-MOLECULE COLLISIONS; *POTASSIUM IONS- ION-MOLECULE COLLISIONS; CROSS SECTIONS; ELASTIC SCATTERING; EV RANGE 100-1000; INTERATOMIC FORCES; KEV RANGE 01-10; LITHIUM 6; LITHIUM 7; POTENTIAL ENERGY

Citation Formats

Inouye, H, and Kita, S. Experimental determination of repulsive potentials between alkali ions (Li$sup +$, K$sup +$, and Cs$sup +$) and hydrogen molecules (H$sub 2$ and D$sub 2$). United States: N. p., 1973. Web.
Inouye, H, & Kita, S. Experimental determination of repulsive potentials between alkali ions (Li$sup +$, K$sup +$, and Cs$sup +$) and hydrogen molecules (H$sub 2$ and D$sub 2$). United States.
Inouye, H, and Kita, S. Sat . "Experimental determination of repulsive potentials between alkali ions (Li$sup +$, K$sup +$, and Cs$sup +$) and hydrogen molecules (H$sub 2$ and D$sub 2$)". United States.
@article{osti_4345589,
title = {Experimental determination of repulsive potentials between alkali ions (Li$sup +$, K$sup +$, and Cs$sup +$) and hydrogen molecules (H$sub 2$ and D$sub 2$)},
author = {Inouye, H and Kita, S},
abstractNote = {Integral elastic scattering cross sections of alkali ions (Li/sup +/, K/ sup +/ , and Cs/sup +/) in collision with room temperature hydrogen molecules (H/ sub 2/ and D/sub 2/) were measured in the ion energy range 500-4000 eV. Some difference in the cross sections due to the replacement of the target gases were found in K/sup +/- and Cs/sup +/-hydrogen systems. Most of the difference can be explained by the differance of the target masses, repulsive potentials deduced from the cross sections in a usual manner are represented by the following formulas independently of the isotopes: V(R) = 345 exp(-4.31 R), 0.88 < R < 1.43; K/sup +/: V(R) = 810 exp(-3.52 R), 1.33 < R < 1.98; and Cs/sup +/ = 1110 exp(- 3.26 R), 1.55 < R < 2.25; where V(R) is in units of electron volts and R is in angstroms. (auth) We have carried out a detailed thoeretical study of the 02-11 and 03-12 near-resonant vibrational energy transfer processers which can occur during thc collision of two D/sub 2/ molecules. Assuming a collinear geometry, we have solved the collision dynamies fully quantum-mechanically, using a modified version of the Gordon program. We have investigated three different model potentials and one full ab initio potential surface. Both at high and low collision energies, the V-V transition probabilities are extremely sensitive to the particular potential surface used. We further show that nearest-atom model petentials greatly overestimate transition probabilities at high energies. Also of interest is the result that at mederate to high energies near-resonant V-V transfer probabilities are largely insensitive to the choice of a harmonic or Morse oscillator description of thc two colliding molecules. Finally we show that the simple two-state approximation appears to be remarkably accurate over a wide range of energies. (auth)},
doi = {},
url = {https://www.osti.gov/biblio/4345589}, journal = {J. Chem. Phys., v. 59, no. 12, pp. 6656-6661},
number = ,
volume = ,
place = {United States},
year = {1973},
month = {12}
}