Neon dimer

Constants of diatomic molecules

Go To: Top, References, Notes

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 March, 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 (20)Ne2
StateTeωeωexeωeyeBeαeγeDeβereTrans.ν00
M (0u+) (166580) [30] 1 H (10) 2        M ← X 166590 1 H
↳Tanaka and Yoshino, 1972
L (0u-) (166362) [70] 1 H (7.5) 3        (L ← X) (V 166390 1 H
↳Tanaka and Yoshino, 1972
K (0u+) (165750) [50] 1 H (10) 4        K ← X V 165770 1 H
↳Tanaka and Yoshino, 1972
J (1u) (164220) [190] 1 5        J ← X 164310 1
↳Tanaka and Yoshino, 1972
Diffuse unclassified bands 162940 - 164040 cm-1, correlated to 1S + states derived from 2p5 4p.
↳Tanaka and Yoshino, 1972
StateTeωeωexeωeyeBeαeγeDeβereTrans.ν00
I (161950) [79] 1 H 6        I ← X 161980 1 H
↳Tanaka and Yoshino, 1972
H (0u+) (160322) [201] 1 H (7) 7        H ← X V 160415 1 H
↳missing citation
G (0u+) (160233) [213] 1 H (9.3) 8        G ← X V 160344 1 H
↳missing citation
F (0u+) (159347) [60] 1 H (7.5) 9        F ← X V 159370 1 H
↳missing citation
StateTeωeωexeωeyeBeαeγeDeβereTrans.ν00
E (0u-) (159135) [80] 1 H (10) 10        E ← X V 159170 1 H
↳missing citation
D (0u+) (158635) [60] 1 H (10) 11        D ← X V 158660 1 H
↳missing citation
C (1u) (156480) [290] 1 (10) 12        C ← X (V) 156620 1
↳missing citation
Diffuse unclassified bands 150400 - 153600 cm-1, correltaed to 1S + states derived from 2p5 3p.
↳Tanaka and Yoshino, 1972
Theoretical potential functions, vibrational levels, and lifetimes for states derived from 1S + 2p5 3s 1,3P are given by Cohen and Schneider, 1974 .
StateTeωeωexeωeyeBeαeγeDeβereTrans.ν00
(1u) (135900) 13           
↳missing citation
B (0u+) (135761) [58] 1 H 14         B ← X V 135778 1 H
↳missing citation
(1u) (134500) 15           
↳missing citation
A 1Σu+ (0u+) (133800) [176] 1 H 16 17        A ← X V 133899 1 H
↳missing citation
Continuous emission with maxima at 134400 cm-1 ("first continuum") and 121200 cm-1 18 ("second continuum")
↳missing citation
a 3Σu+Not observed in absorption from the ground state, but tentatively assigned as lower state of an absorption at 12270 cm-1 in Ne (200 - 1060 torr) excited by high-current short-duration electron bursts froma Febetron source Oka, Rao, et al., 1974; lifetime τ ~ 6.62 μs.
StateTeωeωexeωeyeBeαeγeDeβereTrans.ν00
X 1Σg+ 0 [13.7] 19 H   [0.17] (0.06)    3.15  

Notes

1Lowest observed level and interval ΔG(v+1/2); the first observed band may not have v'=0.
2Progr. of three b.21 converging to 1S + 5s'[1/2]1.
3Progr. of four b.21 converging to 1S + 5s'[1/2]0.
4Progr. of five b. converging to 1S + 5s[3/2]1.
5Progr. of nine b.22 converging to 1S + 5s[3/2]2.
6Progr. of five b.23 converging to 1S + 3d'[3/2]1.
7Progr. of eight b.24 converging to 1S + 3d[1/2]1.25
8Progr. of eight b.24 converging to 1S + 3d[3/2]1.
9Progr. of four b. converging to 1S + 4s'[1/2]1.
10Progr. of four b. converging to 1S + 4s'[1/2]0.
11Progr. of three b. converging to 1S + 4s[3/2]1.
12Progr. of ten b.26 converging to 1S + 4s[3/2]2.
13Unstable; responsible for broadening to shorter wavelengths of the resonance line at 735.9 Å
14Only two levels 24 observed, correlated to 1S + 3s'[1/2]1. 25
15Unstable; responsible for broadening to shorter wavelengths of the resonance line at 743.7 Å
16ΔG(v+3/2) = 93, ΔG(v+5/2) = 40.
17Progr. of four b. 24 converging to 1S + 3s[3/2]1. 25
18Attributed to A → X Tanaka and Yoshino, 1972, possibly also contributions from a → X.
19Zero-point energy 12.3 cm-1 [see LeRoy, Klein, et al., 1974].
20From ΔG"(1/2) observed in the VUV absorption spectrum Tanaka and Yoshino, 1972 and the binding energy of v=1 Tanaka, Yoshino, et al., 1973 as corrected by LeRoy, Klein, et al., 1974. LeRoy, Klein, et al., 1974 recommend De0 = 28.6 cm-1 (0.00355 eV) LeRoy, Klein, et al., 1974, a value derived from solid-state data Goldman and Klein, 1973 and in fair agreement with the Ne-Ne scattering data of Siska, Parson, et al., 1971 and Farrar, Lee, et al., 1973 [De0= 3l.9 cm-1 Siska, Parson, et al., 1971 and De0= 29.7 cm-1 Farrar, Lee, et al., 1973, respectively] and the ab initio calculations of Gordon and Kim, 1972 and Stevens, Wahl, et al., 1974 [De0= 28.2 cm-1 Gordon and Kim, 1972 and De0= 27.2 cm-1 Stevens, Wahl, et al., 1974, respectively]; see also Nain, Aziz, et al., 1976 who give De0= 30.2 cm-1 Nain, Aziz, et al., 1976.
21It is not certain that these two progressions belong to two separate electronic states.
22All bands are very diffuse.
23Irregular intervals and intensities; tentative classification.
24Rotational structure partially resolved.
25Also weaker progression with v" = 1.
26Diffuse bands.

References

Go To: Top, Constants of diatomic molecules, Notes

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

Tanaka and Yoshino, 1972
Tanaka, Y.; Yoshino, K., Absorption spectra of Ne2 and HeNe molecules in the vacuum-UV region, J. Chem. Phys., 1972, 57, 2964. [all data]

Cohen and Schneider, 1974
Cohen, J.S.; Schneider, B., Ground and excited states of Ne2 and Ne2+. I. Potential curves with and without spin-orbit coupling, J. Chem. Phys., 1974, 61, 3230. [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]

LeRoy, Klein, et al., 1974
LeRoy, R.J.; Klein, M.L.; McGee, I.J., On the dissociation energy and interaction potential of ground-state Ne2, Mol. Phys., 1974, 28, 587. [all data]

Tanaka, Yoshino, et al., 1973
Tanaka, Y.; Yoshino, K.; Freeman, D.E., On the determination of the ground state potential energy of Ne2 from its vacuum ultraviolet spectrum, J. Chem. Phys., 1973, 59, 564. [all data]

Goldman and Klein, 1973
Goldman, V.V.; Klein, M.L., An interatomic potential for Ne2 derived from solid state data, J. Low Temp. Phys., 1973, 12, 101. [all data]

Siska, Parson, et al., 1971
Siska, P.E.; Parson, J.M.; Schafer, T.P.; Lee, Y.T., Intermolecular potentials from crossed beam differential elastic scattering measurements. III. He + He and Ne + Ne, J. Chem. Phys., 1971, 55, 5762. [all data]

Farrar, Lee, et al., 1973
Farrar, J.M.; Lee, Y.T.; Goldman, V.V.; Klein, M.L., Neon interatomic potentials from scattering data and crystalline properties, Chem. Phys. Lett., 1973, 19, 359. [all data]

Gordon and Kim, 1972
Gordon, R.G.; Kim, Y.S., Theory for the forces between closed-shell atoms and molecules, J. Chem. Phys., 1972, 56, 3122. [all data]

Stevens, Wahl, et al., 1974
Stevens, W.J.; Wahl, A.C.; Gardner, M.A.; Karo, A.M., Ab initio calculation of the neon-neon 1Σg+ potential at intermediate separations, J. Chem. Phys., 1974, 60, 2195. [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

Go To: Top, Constants of diatomic molecules, References