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DBe+


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 April, 1976

Symbols used in the table of constants
SymbolMeaning
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 9BeD+
StateTeomegaeomegaexeomegaeyeBealphaegammaeDebetaereTrans.nu00
A 1Sigma+ 39416.2 1096.4 Z 8.5  3.971 0.0578  1.9E-4  1.6059 A rarrow X R 39143.9 Z
Koontz, 1935
X 1Sigma+ 0 1647.6 Z 21.9  5.955 0.1233  2.9E-4  1.3113  

Notes

1D00(BeH) + I.P.(Be) - I.P.(BeH).
2-0.038 in Watson and Humphreys, 1937 is obviously wrong.
3Theoretical oscillator strength Stewart, Watson, et al., 1975.
4-0.021 in Watson and Humphreys, 1937 is obviously wrong.
5From the value for BeH+

References

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.

Koontz, 1935
Koontz, P.G., Beryllium deuteride spectra, Phys. Rev., 1935, 48, 707. [all data]

Watson and Humphreys, 1937
Watson, W.W.; Humphreys, R.F., Ultraviolet spectra of BeH and BeH+, Phys. Rev., 1937, 52, 318. [all data]

Stewart, Watson, et al., 1975
Stewart, R.F.; Watson, D.K.; Dalgarno, A., Variational time-dependent Hartree-Fock calculations. I. Applications to four-electron atomic and molecular systems, J. Chem. Phys., 1975, 63, 3222. [all data]


Notes

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