Diberyllium monoxide

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
ΔfH°gas-15.00kcal/molReviewChase, 1998Data last reviewed in September, 1963
Quantity Value Units Method Reference Comment
S°gas,1 bar52.780cal/mol*KReviewChase, 1998Data last reviewed in September, 1963

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 (cal/mol*K)
    H° = standard enthalpy (kcal/mol)
    S° = standard entropy (cal/mol*K)
    t = temperature (K) / 1000.

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Temperature (K) 298. - 1200.1200. - 6000.
A 5.95420914.66520
B 17.164000.128416
C -13.02370-0.025230
D 3.6059400.001707
E -0.019859-1.121560
F -17.49690-22.22120
G 55.3021066.49130
H -15.00000-15.00000
ReferenceChase, 1998Chase, 1998
Comment Data last reviewed in September, 1963 Data last reviewed in September, 1963

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:   A
 Energy 
 (cm-1) 		  Med.   Transition   λmin 
 (nm) 		  λmax 
 (nm) 		  References
To = 28087.4 gas Merritt, Bondybey, et al., 2009
Vib. 
sym. 		  No.   Approximate 
 type of mode 		  cm-1   Med.   Method   References
Σg+ 1 Sym. stretch 693.2 gas LF Merritt, Bondybey, et al., 2009
Πg 2 Bend 69.7 gas LF Merritt, Bondybey, et al., 2009
Σu+ 3 Asym. stretch 788 gas LF Merritt, Bondybey, et al., 2009

State:   X

Vib. 
sym. 		  No.   Approximate 
 type of mode 		  cm-1   Med.   Method   References
Σg+ 1 Sym. stretch 1039 gas SEP Merritt, Bondybey, et al., 2009
Πg 2 Bend 113 H gas SEP Merritt, Bondybey, et al., 2009
Σu+ 3 Asym. stretch 1414 gas SEP Merritt, Bondybey, et al., 2009
3 Asym. stretch 1412.4 Ar IR Thompson and Andrews, 1994
3 Asym. stretch 1407.5 Kr IR Thompson and Andrews, 1994
3 Asym. stretch 1403.0 Xe IR Thompson and Andrews, 1994
3 Asym. stretch 1408.3 N2 IR Andrews, Chertihin, et al., 1996

Additional references: Jacox, 1998, page 163

Notes

H(1/2)(2ν)
oEnergy separation between the v = 0 levels of the excited and electronic ground states.

References

Go To: Top, Gas phase thermochemistry 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]

Merritt, Bondybey, et al., 2009
Merritt, J.M.; Bondybey, V.E.; Heaven, M.C., Spectroscopy, Structure, and Ionization Energy of BeOBe, J. Phys. Chem. A, 2009, 113, 47, 13300, https://doi.org/10.1021/jp904653v . [all data]

Thompson and Andrews, 1994
Thompson, C.A.; Andrews, L., Reactions of laser ablated Be atoms with O2: Infrared spectra of beryllium oxides in solid argon, J. Chem. Phys., 1994, 100, 12, 8689, https://doi.org/10.1063/1.466724 . [all data]

Andrews, Chertihin, et al., 1996
Andrews, L.; Chertihin, G.V.; Thompson, C.A.; Dillon, J.; Byrne, S.; Bauschlicher, C.W., Jr., Infrared Spectra and Quantum Chemical Calculations of Group 2 MO, J. Phys. Chem., 1996, 100, 24, 10088, https://doi.org/10.1021/jp953763v . [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]

Notes

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