HF+

• Formula: FH⁺
• Molecular weight: 20.00579
• Information on this page:
  • Constants of diatomic molecules
  • References
  • Notes
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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 January, 1977

Diatomic constants for H¹⁹F⁺

State	Te	e	exe	eye	Be	e	e	De	e	re	Trans.	00
										c	678.2 $eV
↳Shaw and Thomas, 1975
										c	23.6 $eV
↳Shaw and Thomas, 1975
A 2+	25449.82 1	1496.07 Z	88.423	-7.328	11.7536 2 3	1.0261 4	-0.0933	[28.89E-4] 5		1.2242	A X R	24648.91 6
	↳Gewurtz, Lew, et al., 1975
X 2i	0 7	3090.48 Z	88.996 8		17.5771 9 10	8.8863 11	0.0142	[22.05E-4] 12		1.0011

Notes

1	Includes the Y00 corrections in the upper and lower states; Y"00 - Y'00 = 2.93 cm-1.
2	Spin splitting constants (v=0) = 0.5339, (v=1)= 0.5400, (v=2)= 0.5665, (v=3)= 0.644.
3	Breaking off of rotational levels at N=3 for v=3 and N=10 for v=2 because of predissociation by rotation. The predissociation limit is 27966 ± 50 cm-1 above J=3/2, v=0 of 23/2 and corresponds to dissociation into H+ + F(2P1/2); see, however, the discussion in Gewurtz, Lew, et al., 1975.
4	From v=0,1,2 only. B3 = 6.741.
5	D1 = 31.65E-4, D2 = 39.3E-4; H0 = -3.2E-7, H1 = -11.3E-7, H2 = -34E-7.
6	Refers to the zero-point of the Hill-Van Vleck formula in the lower state.
7	A(v) = -292.85 + 0.58(v+1/2); see 8.
8	Only v=0,1,2 have been observed with high accuracy in the optical spectrum, v=3...11 in the photoelectron spectrum Guyon, Spohr, et al., 1976.
9	For -type doubling constants (p ~ 0.60) see Gewurtz, Lew, et al., 1975.
10	Ab initio calculations Julienne, Krauss, et al., 1971, Bondybey, Pearson, et al., 1972, Raftery and Richards, 1972 give molecular constants in agreement with the experimental results quoted here.
11	See 8.
12	D1 = 21.41E-4; D2 = 21.24E-4.
13	Average of two values, 27650 and 27562 cm-1, the former from D00(HF) + I.P.(H) - I.P.(HF), the latter from the predissociation in A 2+ (see 3).
14	Several excited states of HF++ were observed in the Auger electron spectrum of HF Shaw and Thomas, 1975. Tentatively, the ...22 1 and 1 states may be identified at 33.9 and 35.9 eV above X 23/2(v=0) of HF+; the 3 state remains undetected.
15	From X-ray photoelectron spectra; satellite ("shake-up") peaks corresponding to 25- 35 eV higher excitation energies than the main 1 peak were observed by Martin, Mills, et al., 1976 and attributed to simultaneous removal of an F 1s electron and excitation of a 3 or 1 electron into a higher orbital.

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.

Shaw and Thomas, 1975
Shaw, R.W., Jr.; Thomas, T.D., Auger electron spectrum and ionization potentials of the HF molecule, Phys. Rev. A:, 1975, 11, 1491. [all data]

Gewurtz, Lew, et al., 1975
Gewurtz, S.; Lew, H.; Flainek, P., The electronic spectrum of HF⁺, Can. J. Phys., 1975, 53, 1097. [all data]

Guyon, Spohr, et al., 1976
Guyon, P.-M.; Spohr, R.; Chupka, W.A.; Berkowitz, J., Threshold photoelectron spectra of HF, DF, and F₂, J. Chem. Phys., 1976, 65, 1650-1658. [all data]

Julienne, Krauss, et al., 1971
Julienne, P.S.; Krauss, M.; Wahl, A.C., Hartree-Fock energy curves for X²«PI» and ²«SIGMA»⁺ states of HF⁺, Chem. Phys. Lett., 1971, 11, 16. [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]

Raftery and Richards, 1972
Raftery, J.; Richards, W.G., The electronic structure of HF⁺, J. Phys. B:, 1972, 5, 425. [all data]

Martin, Mills, et al., 1976
Martin, R.L.; Mills, B.E.; Shirley, D.A., Fluorine 1s correlation states in the photoionization of hydrogen fluoride: experiment and theory, J. Chem. Phys., 1976, 64, 3690. [all data]

Notes

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• Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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