Beryllium hydride


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
Δfgas125.52kJ/molReviewChase, 1998Data last reviewed in December, 1960
Quantity Value Units Method Reference Comment
gas,1 bar173.12J/mol*KReviewChase, 1998Data last reviewed in December, 1960

Gas Phase Heat Capacity (Shomate Equation)

Cp° = A + B*t + C*t2 + D*t3 + E/t2
H° − H°298.15= A*t + B*t2/2 + C*t3/3 + D*t4/4 − E/t + F − H
S° = A*ln(t) + B*t + C*t2/2 + D*t3/3 − E/(2*t2) + G
    Cp = heat capacity (J/mol*K)
    H° = standard enthalpy (kJ/mol)
    S° = standard entropy (J/mol*K)
    t = temperature (K) / 1000.

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Temperature (K) 298. to 1200.1200. to 6000.
A -0.14000058.43918
B 93.635832.090766
C -55.43507-0.408548
D 11.949880.027544
E 0.642081-10.01558
F 124.021785.23854
G 151.0043213.7225
H 125.5200125.5200
ReferenceChase, 1998Chase, 1998
Comment Data last reviewed in December, 1960 Data last reviewed in December, 1960

Reaction 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.

Data compiled by: John E. Bartmess

Note: Please consider using the reaction search for this species. This page allows searching of all reactions involving this species. A general reaction search form is also available. Future versions of this site may rely on reaction search pages in place of the enumerated reaction displays seen below.

Individual Reactions

HBe- + Hydrogen cation = Beryllium hydride

By formula: HBe- + H+ = H2Be

Quantity Value Units Method Reference Comment
Δr1630. ± 13.kJ/molD-EARackwitz, Feldman, et al., 1977gas phase; ΔHf(BeH2){ Chase Jr., Davies, et al., 1985} is 1959 SWAG. G3(MP2)calcn(JEB): ΔHf=44.5kcal, BDE=92.1, ΔHacid=389.7
Quantity Value Units Method Reference Comment
Δr1595. ± 13.kJ/molH-TSRackwitz, Feldman, et al., 1977gas phase; ΔHf(BeH2){ Chase Jr., Davies, et al., 1985} is 1959 SWAG. G3(MP2)calcn(JEB): ΔHf=44.5kcal, BDE=92.1, ΔHacid=389.7

Gas phase ion energetics 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.

Data compiled by: John E. Bartmess

De-protonation reactions

HBe- + Hydrogen cation = Beryllium hydride

By formula: HBe- + H+ = H2Be

Quantity Value Units Method Reference Comment
Δr1630. ± 13.kJ/molD-EARackwitz, Feldman, et al., 1977gas phase; ΔHf(BeH2){ Chase Jr., Davies, et al., 1985} is 1959 SWAG. G3(MP2)calcn(JEB): ΔHf=44.5kcal, BDE=92.1, ΔHacid=389.7
Quantity Value Units Method Reference Comment
Δr1595. ± 13.kJ/molH-TSRackwitz, Feldman, et al., 1977gas phase; ΔHf(BeH2){ Chase Jr., Davies, et al., 1985} is 1959 SWAG. G3(MP2)calcn(JEB): ΔHf=44.5kcal, BDE=92.1, ΔHacid=389.7

Vibrational and/or electronic energy levels

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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: Marilyn E. Jacox

State:   X


Vib. 
sym. 
 No.   Approximate 
 type of mode 
 cm-1   Med.   Method   References

Πu 2 Bend 708.5 Ne IR Wang and Andrews, 2005
2 Bend 697.9 Ar IR Tague and Andrews, 1993
2 Bend 706.3 H2 IR Wang and Andrews, 2005
Σu+ 3 Asym. stretch 2178.87 gas IR Bernath, Shayesteh, et al., 2002
Shayesteh, Tereszchuk, et al., 2003
3 Asym. stretch 2172.2 Ne IR Wang and Andrews, 2005
3 Asym. stretch 2159.1 Ar IR Tague and Andrews, 1993
3 Asym. stretch 2165.3 H2 IR Wang and Andrews, 2005

Additional references: Jacox, 1998, page 125; Shayesteh and Bernath, 2006


References

Go To: Top, Gas phase thermochemistry data, Reaction thermochemistry data, Gas phase ion energetics data, Vibrational and/or electronic energy levels, 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]

Rackwitz, Feldman, et al., 1977
Rackwitz, R.; Feldman, D.; Kaiser, H.J.; Heincke, E., Photodetachment bei einigen zweiatomigen negativen hydridionen: BeH-, MgH-, CaH-, ZnH-, PH-, AsH-, Z. Naturforsch. A:, 1977, 32, 594. [all data]

Chase Jr., Davies, et al., 1985
Chase Jr.; Davies, C.A.; Downey Jr.; Frurip, D.J.; McDonald, R.A.; Syverud, A.N., JANAF Thermochemical Tables (Third Edition), J. Phys. Chem. Ref. Data, Suppl. 1, 1985, 14. [all data]

Wang and Andrews, 2005
Wang, X.; Andrews, L., One-Dimensional BeH, Inorg. Chem., 2005, 44, 3, 610, https://doi.org/10.1021/ic048464b . [all data]

Tague and Andrews, 1993
Tague, T.J., Jr.; Andrews, L., Reactions of beryllium atoms with hydrogen. Matrix infrared spectra of novel product molecules, J. Am. Chem. Soc., 1993, 115, 25, 12111, https://doi.org/10.1021/ja00078a057 . [all data]

Bernath, Shayesteh, et al., 2002
Bernath, P.F.; Shayesteh, A.; Tereszchuk, K.; Colin, R., The Vibration-Rotation Emission Spectrum of Free BeH2, Science, 2002, 297, 5585, 1323, https://doi.org/10.1126/science.1074580 . [all data]

Shayesteh, Tereszchuk, et al., 2003
Shayesteh, A.; Tereszchuk, K.; Bernath, P.F.; Colin, R., Infrared emission spectra of BeH[sub 2] and BeD[sub 2], J. Chem. Phys., 2003, 118, 8, 3622, https://doi.org/10.1063/1.1539850 . [all data]

Jacox, 1998
Jacox, M.E., Vibrational and electronic energy levels of polyatomic transient molecules: supplement A, J. Phys. Chem. Ref. Data, 1998, 27, 2, 115-393, https://doi.org/10.1063/1.556017 . [all data]

Shayesteh and Bernath, 2006
Shayesteh, A.; Bernath, P.F., Rotational [script-l]-type resonance in BeH[sub 2], BeD[sub 2], and MgH[sub 2], J. Chem. Phys., 2006, 124, 15, 156101, https://doi.org/10.1063/1.2189859 . [all data]


Notes

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