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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 March, 1975

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 55Mn79Br
Bands in the region 15800 - 16400 cm-1, attributed to MnBr by Hayes and Nevin, 1955, are probably due to CaBr.
Rosen, 1970
Emission 2           1 R 20020.0 HQ5
missing citation
Emission           3 R 19705.9 HQ
missing citation
           3 R 19669.8 H Q
missing citation
Emission 5           4 R 10681.6 HQ
missing citation
Emission 7           6 R 10665.9 H
missing citation
A (7Pi) 26303.7 8 302.3 HQ4 0.6        A lrarrow X V 26311.6 HQ4
Mesnage, 1939; Muller, 1943; missing citation; Rao, 1949; Haynes and Nevin, 1955
X (7Sigma) 0 286.7 HQ4 0.8         


1Q,R,S heads; possibly quintet system.
2Emission bands in the visible and near infrared: nue = 20024.6; omegae' = 286.6, omegae'xe' = 1.4; omegae" = 295.9, omegae"xe" = 1.6;
3Two sequences of double headed bands.
4Q,R heads; possibly additional branches.
5nue = 10682.1; omegae' = 290.4, omegae'xe' = 0.13; omegae" = 291.3, omegae"xe" = 0.01;
6Single heads.
7nue = 10667.5; omegae' = 295.6, omegae'xe' = 0.62; omegae" = 298.8, omegae"xe" = 0.61;
8|A| ~ 58.
9Thermochemical value (flame photometry) Bulewicz, Phillips, et al., 1961.


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

Hayes and Nevin, 1955
Hayes, W.; Nevin, T.E., New band systems of MnF and MnBr in the red, Proc. Phys. Soc. London Sect. A, 1955, 68, 665. [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]

Mesnage, 1939
Mesnage, P., Recherches sur les decharges de haute frequence et leur application a la spectroscopie moleculaire, Ann. Phys. (Paris), 1939, 12, 5. [all data]

Muller, 1943
Muller, W., Terme hoher multiplizitat in molekulspektren, Helv. Phys. Acta, 1943, 16, 3-32. [all data]

Rao, 1949
Rao, P.T., Emission spectra of the maganese halides, Indian J. Phys., 1949, 23, 517. [all data]

Haynes and Nevin, 1955
Haynes, W.; Nevin, T.E., The specturm of MnCl and MnBr in the near ultraviolet, Proc. R. Ir. Acad. Sect. A:, 1955, 57, 15-30. [all data]

Bulewicz, Phillips, et al., 1961
Bulewicz, E.M.; Phillips, L.F.; Sugden, T.M., Determination of dissociation constants and heats of formation of simple molecules by flame photometry. Part 8. Stabilities of the gaseous diatomic halides of certain metals, Trans. Faraday Soc., 1961, 57, 921. [all data]


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