Home Symbol which looks like a small house Up Solid circle with an upward pointer in it


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 December, 1976

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 89Y19F+
2Pi(r) x2 + 28062.4 716.6 H 2.38  [0.3065] 1   [2.0E-7]  [1.8760] 2Pi rarrow 2Delta V 28088.37 Z
Shenyavskaya and Ryabov, 1976
x1 + 27964.0 [711.53] Z 2.41 H  [0.3055] 1 0.0015  [2.2E-7]  [1.8760] 2Pi rarrow 2Delta V 27990.34 Z
Shenyavskaya and Ryabov, 1976
2Delta(r) x2 664.7 H 2.30  [0.2960]   [2.2E-7]  1.9086  
x1 663.7 H 2.29  [0.2953]   [2.2E-7]    


1Lambda-type doubling, Deltav = 0.0079(J+1/2).
2Thermochemical value (mass-spectrometry) Zmbov and Margrave, 1967.
3The absorption spectrum in this region contains several overlapping bands, and it is not certain how many states are involved Barrow, Bastin, et al., 1967, Barrow, 1979. Perturbations.
4Lambda-type doubling, Deltanu = 0.0007J(J+1) Barrow, 1979.
5Lambda-type doubling, Deltanu = 0.00049J(J+l) Barrow, 1979.
6Assignments by analogy with ScF.
71.61 in Shenyavskaya, Maltsev, et al., 1966, Shenyavskaya, Mal'tsev, et al., 1967.
8Lambda-type doubling, Delta nuef = (-)0.000132~J(J+1) Barrow, Bastin, et al., 1967, Barrow, 1979.


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.

Shenyavskaya and Ryabov, 1976
Shenyavskaya, E.A.; Ryabov, B.S., The spectra of YF+ and YF molecules in the 3400-3700 Å region, J. Mol. Spectrosc., 1976, 63, 23. [all data]

Zmbov and Margrave, 1967
Zmbov, K.F.; Margrave, J.L., Mass spectrometry at high temperatures. XVIII.The stabilities of the mono- and difluorides of scandium and yttrium, J. Chem. Phys., 1967, 47, 3122. [all data]

Barrow, Bastin, et al., 1967
Barrow, R.F.; Bastin, M.W.; Moore, D.L.G.; Pott, C.J., Electronic states of gaseous fluorides of scandium, yttrium and lanthanum, Nature (London), 1967, 215, 1072. [all data]

Barrow, 1979
Barrow, R.F., In Rosen, 1970 cited in Huber and Herzberg, 1979, 1979, 673. [all data]

Shenyavskaya, Maltsev, et al., 1966
Shenyavskaya, E.A.; Maltsev, A.A.; Gurvich, L.V., Electronic vibrational-rotational spectrum of yttrium monofluoride, Opt. Spectrosc. Engl. Transl., 1966, 21, 374, In original 680. [all data]

Shenyavskaya, Mal'tsev, et al., 1967
Shenyavskaya, E.A.; Mal'tsev, A.A.; Gurvich, L.V., The electronic-vibrational-rotational spectrum of the ScCl molecule and some additional data on the molecular constants of ScF, YF, and LaF, Moscow Univ. Chem. Bull. Engl. Transl., 1967, 22, 66, In original 104. [all data]

Rosen, 1970
Rosen, B., International tables of selected constants. 17. Spectroscopic data relative to diatomic molecules, Pub. Pergamon Press, Oxford, 1970, 0. [all data]

Huber and Herzberg, 1979
Huber, K.P.; Herzberg, G., Molecular Spectra and Molecular Structure. IV. Constants of Diatomic Molecules, Van Nostrand Reinhold Company, New York, 1979, 716. [all data]


Go To: Top, Constants of diatomic molecules, References