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 September, 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 (174)Yb19F
B (2Sigma+) 1/2 (21067) [511.75] H 1  [0.2486] 2     [1.990] B lrarrow X V 21074.25 3 H
Barrow and Chojnicki, 1975
A2 (2Pi) 3/2 (19460) [540.35] H 1  [0.24863]   [3.16E-7] 4  [1.9896] A2 lrarrow X V 19470.99 5 Z
missing citation
A1 (2Pi) 1/2 (18090) [473.72] H 1  [0.24704] 6   [2.14E-7]  [1.9960] A1 lrarrow X V 18106.28 5 Z
Barrow and Chojnicki, 1975
X 2Sigma+ 0 [501.91] Z 2.205 H  [0.24140] 0.0015  [2.18E-7]  2.0161  


1Higher DeltaG values in Barrow and Chojnicki, 1975; strong perturbations.
2Large perturbations.
3Head nearest to origin.
4H0 = +4.1E-12
5{J'=0} relative to N"=0.
6Omega type doubling Delta nufe = -0.40(J+1/2).
7Corrected Hildenbrand, 1967 linear Birge-Sponer extrapolation for the ground state Barrow and Chojnicki, 1975. See, however, Yokozeki and Menzinger, 1976 who derive D00 «gte» 5.36 eV Yokozeki and Menzinger, 1976 from the Yb + F2 chemiluminescence spectrum.


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.

Barrow and Chojnicki, 1975
Barrow, R.F.; Chojnicki, A.H., Analysis of the optical spectrum of gaseous ytterbium monofluoride, J. Chem. Soc. Faraday Trans. 2, 1975, 71, 728. [all data]

Hildenbrand, 1967
Hildenbrand, D.L., Bond energy relationships in polyvalent metal fluorides, Adv. High Temp. Chem., 1967, 1, 193. [all data]

Yokozeki and Menzinger, 1976
Yokozeki, A.; Menzinger, M., Molecular beam chemiluminescence. VIII: Pressure dependence and kinetics of Sm + (N2O, O3, F2, Cl2) and Yb + (O3, F2, Cl2) reactions. Dissociation energies of the diatomic reaction products, Chem. Phys., 1976, 14, 427. [all data]


Go To: Top, Constants of diatomic molecules, References