Beryllium hydride cation

Gas phase thermochemistry data

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

Quantity Value Units Method Reference Comment
S°gas,1 bar40.789cal/mol*KReviewChase, 1998Data last reviewed in September, 1966

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 9BeH+
StateTeωeωexeωeyeBeαeγeDeβereTrans.ν00
A 1Σ+ 39417.0 1476.1 Z 14.8 -0.38 7.184 0.125 -0.0054 6.1E-4  1.6089 A → X 1 R 39050.4 Z
↳Bengtsson-Knave, 1932; Watson and Humphreys, 1937
X 1Σ+ 0 2221.7 Z 39.79 -0.21 10.800 0.294 -0.0049 9.9E-4  1.3122 2  
↳Read, Vanderslice, et al., 1962; Brown, 1969; Banyard and Taylor, 1975

Notes

1Theoretical oscillator strength Stewart, Watson, et al., 1975.
2Theoret. calc., pot. curves
3D00(BeH) + I.P.(Be) - I.P.(BeH).
4-0.038 in Watson and Humphreys, 1937 is obviously wrong.
5-0.021 in Watson and Humphreys, 1937 is obviously wrong.
6From the value for BeH+

References

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

Chase, 1998
Chase, M.W., Jr., NIST-JANAF Themochemical Tables, Fourth Edition, J. Phys. Chem. Ref. Data, Monograph 9, 1998, 1-1951. [all data]

Bengtsson-Knave, 1932
Bengtsson-Knave, E., Uber die bandenspektren einiger metallhydride, Nova Acta Regiae Soc. Sci. Ups., 1932, 8, 4, 1-98. [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]

Read, Vanderslice, et al., 1962
Read, S.M.; Vanderslice, J.T.; Jenc, F., Potential Curves for BeH+ and CH+, J. Chem. Phys., 1962, 37, 205. [all data]

Brown, 1969
Brown, R.E., Ab initio studies on BeH+ (X1Σ+), J. Chem. Phys., 1969, 51, 2879. [all data]

Banyard and Taylor, 1975
Banyard, K.E.; Taylor, G.K., Potential energy curves and spectroscopic constants for BeH+, BH and CH+, J. Phys. B:, 1975, 8, 137. [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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