Krypton dimer ion

Gas phase ion energetics data

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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Data compiled by: Sharon G. Lias and Joel F. Liebman

Appearance energy determinations

Ion AE (eV) Other Products MethodReferenceComment
Kr+≤1.15KrDERGiles, Adams, et al., 1989 

Constants of diatomic molecules

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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Data compiled by: Klaus P. Huber and Gerhard H. Herzberg

Data collected through April, 1977

Symbols used in the table of constants
SymbolMeaning
State electronic state and / or symmetry symbol
Te minimum electronic energy (cm-1)
ωe vibrational constant – first term (cm-1)
ωexe vibrational constant – second term (cm-1)
ωeye vibrational constant – third term (cm-1)
Be rotational constant in equilibrium position (cm-1)
αe rotational constant – first term (cm-1)
γe rotation-vibration interaction constant (cm-1)
De centrifugal distortion constant (cm-1)
βe rotational constant – first term, centrifugal force (cm-1)
re internuclear distance (Å)
Trans. observed transition(s) corresponding to electronic state
ν00 position of 0-0 band (units noted in table)
Diatomic constants for (84)Kr2+
StateTeωeωexeωeyeBeαeγeDeβereTrans.ν00
Some excited states have been qualitatively discussed by Barr, Dee, et al., 1975.
X (2Σu+) 0         (2.6) 1  

Notes

1estimated value Mittman and Weise, 1974
2From the absorption spectrum Tanaka, Yoshino, et al., 1973. Various other methods, reviewed in Tanaka, Yoshino, et al., 1973, agree well with the spectroscopic value; see also 8.
3From photoionization studies Ng, Trevor, et al., 1977; see also the earlier work of Huffman and Katayama, 1966, Samson and Cairns, 1966.
4The v' numbering assumes that the lowest observed level has v' = 0 which may, however, not be the case.
5A fairly strong diffuse R shaded band (called "spectral demarcation") at 79923 cm-1 is considered to belong to the same electronic transition Tanaka, Yoshino, et al., 1973.
6The emission is attributed to transitions from the lowest excited states A 3Σu+(1u) and B 1Σu+(0u+) to the repulsive part of the ground state potential; for a detailed discussion of the analogous spectrum of Xe2 see Mulliken, 1970. The "second continuum" was recently observed in emission from high-pressure krypton excited by high-current short-duration electron bursts from a Febetron source Koehler, Ferderber, et al., 1975 and was found to be characterized by three radiative decay constants of 9, 32, 350 ns. Similar excitation Oka, Rao, et al., 1974, produces "long-lived" (τ = 353 ns Oka, Rao, et al., 1974) molecular species which absorb at 10100, 10160, 10250, 10350 cm-1. The 1470 Angstroms emission was also observed from Kr2 in a neon matrix excited by α particles Gedanken, Raz, et al., 1973.
7Vibrational levels observed to v=9.
8From viscosity data, virial coefficients Gough, Smith, et al., 1974 and collision cross sections Buck, Dondi, et al., 1973. More recently, Barker, Watts, et al., 1974 have derived re = 4.007 Angstroms Barker, Watts, et al., 1974 and De = 0.0174 eV Barker, Watts, et al., 1974 from a combination of all available data; see also Nain, Aziz, et al., 1976.
9D00(Kr2) + I.P.(Kr) - I.P.(Kr2). From elastic scattering of Kr+ by Kr Mittman and Weise, 1974 obtain De = 1.21 eV Mittman and Weise, 1974.

References

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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Giles, Adams, et al., 1989
Giles, K.; Adams, N.G.; Smith, D., Reactions of Kr+, Kr2, Xe+ and Xe2 ions with several molecular gases at 300 K, J. Phys. B:, 1989, 22, 873. [all data]

Barr, Dee, et al., 1975
Barr, T.L.; Dee, D.; Gilmore, F.R., Angular momentum coupling, potential curves and radiative selection rules for heavy diatomic molecules, with particular reference to Kr2 and Kr2+, J. Quant. Spectrosc. Radiat. Transfer, 1975, 15, 625. [all data]

Mittman and Weise, 1974
Mittman, H.U.; Weise, H.P., Scattering of Ions V. Elastic Scattering of the Symmetric Rare Gas Ion - Rare Gas Atom Systems, Z. Naturforsch., 1974, A29, 400. [all data]

Tanaka, Yoshino, et al., 1973
Tanaka, Y.; Yoshino, K.; Freeman, D.E., Vacuum ultraviolet absorption spectra of the van der Waals molecules Kr2 and ArKr, J. Chem. Phys., 1973, 59, 5160. [all data]

Ng, Trevor, et al., 1977
Ng, C.Y.; Trevor, D.J.; Mahan, B.H.; Lee, Y.T., Photoionization studies of the Kr2 and Ar2 van der Waals molecules, J. Chem. Phys., 1977, 66, 446-449. [all data]

Huffman and Katayama, 1966
Huffman, R.E.; Katayama, D.H., Photoionization study of diatomic-ion formation in argon, krypton, and xenon, J. Chem. Phys., 1966, 45, 138. [all data]

Samson and Cairns, 1966
Samson, J.A.R.; Cairns, R.B., Ionization potential of molecular xenon and krypton, J. Opt. Soc. Am., 1966, 56, 1140. [all data]

Mulliken, 1970
Mulliken, R.S., Potential curves of diatomic rare-gas molecules and their ions, with particular reference to Xe2, J. Chem. Phys., 1970, 52, 5170. [all data]

Koehler, Ferderber, et al., 1975
Koehler, H.A.; Ferderber, L.J.; Redhead, D.L.; Ebert, P.J., Vacuum-ultraviolet emission from high-pressure krypton, Phys. Rev. A: Gen. Phys., 1975, 12, 968. [all data]

Oka, Rao, et al., 1974
Oka, T.; Rao, K.V.S.R.; Redpath, J.L.; Firestone, R.F., Mechanism for decay and spontaneous radiative decay constants of the lowest-lying attractive excited states of Ne2, Ar2, and Kr2, J. Chem. Phys., 1974, 61, 4740. [all data]

Gedanken, Raz, et al., 1973
Gedanken, A.; Raz, B.; Jortner, J., Emission spectra of homonuclear diatomic rare gas molecules in solid neon, J. Chem. Phys., 1973, 59, 1630. [all data]

Gough, Smith, et al., 1974
Gough, D.W.; Smith, E.B.; Maitland, G.C., The pair potential energy function for krypton, Mol. Phys., 1974, 27, 867. [all data]

Buck, Dondi, et al., 1973
Buck, U.; Dondi, M.G.; Valbusa, U.; Klein, M.L.; Scoles, G., Determination of the interatomic potential of krypton, Phys. Rev. A: Gen. Phys., 1973, 8, 2409. [all data]

Barker, Watts, et al., 1974
Barker, J.A.; Watts, R.O.; Lee, J.K.; Schafer, T.P.; Lee, Y.T., Interatomic potentials for krypton and xenon, J. Chem. Phys., 1974, 61, 3081. [all data]

Nain, Aziz, et al., 1976
Nain, V.P.S.; Aziz, R.A.; Jain, P.C.; Saxena, S.C., Interatomic potentials and transport properties for neon, argon, and krypton, J. Chem. Phys., 1976, 65, 3242. [all data]

Notes

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