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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
gas,1 bar170.66J/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+
StateTeomegaeomegaexeomegaeyeBealphaegammaeDebetaereTrans.nu00
A 1Sigma+ 39417.0 1476.1 Z 14.8 -0.38 7.184 0.125 -0.0054 6.1E-4  1.6089 A rarrow X 1 R 39050.4 Z
Bengtsson-Knave, 1932; Watson and Humphreys, 1937
X 1Sigma+ 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

Go To: Top, Gas phase thermochemistry data, 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.

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+ (X1«SIGMA»+), 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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