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HNe+


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 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)NeH+
StateTeomegaeomegaexeomegaeyeBealphaegammaeDebetaereTrans.nu00
Several excited states briefly discussed in Vasudevan, 1975.
X 1Sigma+  (2917) 1   (18.0) 1     (0.989) 1  

Notes

1Theoretical values Bondybey, Pearson, et al., 1972.
2Energies relative to Ne(1S) + H(1s 2S). A,B,C have calculated dissociation energies De(A)= 1.53 eV Bondybey, Pearson, et al., 1972, De(B)= 1.50 eV Bondybey, Pearson, et al., 1972, De(C)= 0.51 eV Bondybey, Pearson, et al., 1972.
3Predicted potential hump of 0.87 eV at 2.1 Å Bondybey, Pearson, et al., 1972.
4From a comparative study of the reactions H2+ + He rarrow HeH+ + H and H2+ + Ne rarrow NeH+ + H by photoionization mass-spectrometry Chupka and Russell, 1968; D0(NeH+) - D0(HeH+) = +0.24 eV. Theoretical values for De vary between 2.1 and 2.3 eV Peyerimhoff, 1965, Bondybey, Pearson, et al., 1972, Vasudevan, 1975; similar values are obtained from proton scattering on Ne Rich, Bobbio, et al., 1971, Weise, Mittmann, et al., 1971.

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.

Vasudevan, 1975
Vasudevan, K., An ab initio study of ground and excited states of NeH+, NeH and linear asymmetric NeH2+, Mol. Phys., 1975, 30, 2, 437-455. [all data]

Bondybey, Pearson, et al., 1972
Bondybey, V.; Pearson, P.K.; Schaefer, H.F., III, Theoretical potential energy curves for OH, HF+, HF, HF-, NeH+, and NeH, J. Chem. Phys., 1972, 57, 1123. [all data]

Chupka and Russell, 1968
Chupka, W.A.; Russell, M.E., Photoionization study of ion-molecule reactions in mixtures of hydrogen and rare gases, J. Chem. Phys., 1968, 49, 5426. [all data]

Peyerimhoff, 1965
Peyerimhoff, S., Hartree-Fock-Roothaan wavefunctions, potential curves, and charge-density contours for the HeH+(X1«SIGMA»+) and NeH+(X1«SIGMA»+) molecule ions, J. Chem. Phys., 1965, 43, 3, 998-1010. [all data]

Rich, Bobbio, et al., 1971
Rich, W.G.; Bobbio, S.M.; Champion, R.L.; Doverspike, L.D., Inversion problem for ion-atom differential elastic scattering, Phys. Rev. A: Gen. Phys., 1971, 4, 2253. [all data]

Weise, Mittmann, et al., 1971
Weise, H.-P.; Mittmann, H.-U.; Ding, A.; Henglein, A., Streuung von Ionen. II. Regenbogeneffekt bei der elastichen Streuung von Protonen an Helium, Neon, Krypton, Xenon und von He+ an Helium, Z. Naturforsch. A, 1971, 26, 1122. [all data]


Notes

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