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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, 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 209Bi127I
C 40707.1 230.9 H 4.75        C larrow X 40739.5 H
Joshi, 1958; Yamdagni, 1970
Unclassified absorption bands in the region 24100 - 25000 cm-1.
Yamdagni, 1970
B 23389.1 198.09 H 1.444 1        (B rarrow a) 2 R 17213.5 H
Rao, 1949; missing citation
           B lrarrow X R 23405.9 H
Morgan, 1936; Rao, 1949; missing citation
A' 20318.7 126.8 H 0.90        A' larrow X R 20300.0 H
Yamdagni, 1970
20006.0 145.0 H 2.50        A larrow X R 19996.0 H
Yamdagni, 1970
a (6190) 170.8 H 0.3         
X 0+ 0 163.88 H 0.280 3 -0.005 .027222814 6.97906E-5 4  2.9959E-9 5  2.800501 6  
Kuijpers, Torring, et al., 1976


1Also higher order constants.
2It is not certain that the upper state of this system (omega'e= 200.6, omega'ex'e'= 1.4) is identical with the B state observed in absorption and emission.
3missing note
4+1.721E-8(v+1/2)2 - 9.9E-11(v+1/2)3.
5missing note
6Microwave sp.


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

Joshi, 1958
Joshi, M.M., Thesis, Allahabad University, 1958, 0. [all data]

Yamdagni, 1970
Yamdagni, R., A-X and A'-X band systems of BiI molecule, Spectrochim. Acta, 1970, 26, 1071. [all data]

Rao, 1949
Rao, P.T., The emission spectrum of bismuth iodide, Indian J. Phys., 1949, 23, 379. [all data]

Morgan, 1936
Morgan, F., Band spectra of BiBr, BiCl, BiF, and BiI in absorption, Phys. Rev., 1936, 49, 41. [all data]

Kuijpers, Torring, et al., 1976
Kuijpers, P.; Torring, T.; Dymanus, A., Microwave spectrum of bismuth iodide (BiI), Chem. Phys., 1976, 12, 309. [all data]


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