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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 May, 1977

Symbols used in the table of constants
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 14N19F
Theoretical potential functions and spectroscopic constants for the ground and several excited states O'Hare and Wahl, 1971, Andersen and Ohrn, 1973, Ellis and Banyard, 1974
b 1Sigma+ 18877.05 1197.49 Z 8.64  1.23770 0.01448  5.28E-6  1.29983 b 1 rarrow X 2 V 18905.20 Z
missing citation
a 1Delta [12003.60]    [1.2225] 3   [4.5E-6]  [1.3079] a rarrow X V 11435.16 Z
missing citation
X 3Sigma- 0 1141.37 Z 8.99  1.20568 4 0.01492  5.39E-6  1.31698 5  
Milligan and Jacox, 1964


1Lifetime 0.16 s, estimated from the rate of attenuation of the green emission in the reaction N + NF2 along a flow tube Clyne and White, 1970.
2Franck-Condon factors Mohamed, Khanna, et al., 1974.
3Spin coupling constants lambda0 = 1.2l5, gamma0 = -0.0048.
4missing note
5Vibration sp. 7
6Estimated by O'Hare and Wahl, 1971 on the basis of spectroscopic and thermochemical data; the ab initio computed value is 3.6 eV.
7Observed in argon and nitrogen matrices, DeltaG(1/2) = 1115.


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

O'Hare and Wahl, 1971
O'Hare, P.A.G.; Wahl, A.C., Quantum-chemical study of some pnicogen monofluorides, J. Chem. Phys., 1971, 54, 4563. [all data]

Andersen and Ohrn, 1973
Andersen, A.; Ohrn, Y., Configuration interaction studies of NF and NF+, J. Mol. Spectrosc., 1973, 45, 358. [all data]

Ellis and Banyard, 1974
Ellis, D.J.; Banyard, K.E., A calculation of the spectroscopic constants for several states of NF, J. Phys. B:, 1974, 7, 2021. [all data]

Milligan and Jacox, 1964
Milligan, D.E.; Jacox, M.E., Infrared Spectra of NF, NCl, and NBr, J. Chem. Phys., 1964, 40, 9, 2461, https://doi.org/10.1063/1.1725547 . [all data]

Clyne and White, 1970
Clyne, M.A.A.; White, I.F., Electronic energy transfer processes in fluorine-containing radicals: singlet NF, Chem. Phys. Lett., 1970, 6, 465. [all data]

Mohamed, Khanna, et al., 1974
Mohamed, K.A.; Khanna, B.N.; Lal, K.M., Franck-Condon factors & r-centroids for the b1«SIGMA»+ -- X3«SIGMA»- band system of NF, Indian J. Pure Appl. Phys., 1974, 12, 243. [all data]


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