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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
No spectra observed, all data are theoretical Bondybey, Pearson, et al., 1972:
C 2Sigma+ (78170) 1 (2737) 2   (14.8)     (1.089)  
B 2Pi (70200) 1 (2913)   (18.0)     (0.988)  
A 2Sigma+ (70000) 1 (2801)   (17.7)     (0.996)  
X 2Sigma+ 0 1 3           

Notes

1Energies 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.
2Predicted potential hump of 0.87 eV at 2.1 Å Bondybey, Pearson, et al., 1972.
3Repulsive st. with van der Waals minimum.
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.
5Theoretical values Bondybey, Pearson, et al., 1972.

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.

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]

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]

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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