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Diboron dioxide


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
Deltafgas-109.00kcal/molReviewChase, 1998Data last reviewed in December, 1964
Quantity Value Units Method Reference Comment
gas,1 bar57.983cal/mol*KReviewChase, 1998Data last reviewed in December, 1964

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 12.1538020.05820
B 10.702200.430324
C -4.759061-0.084039
D 0.6287220.005664
E -0.110440-1.897891
F -113.4290-119.3790
G 69.0843976.34089
H -109.0000-109.0000
ReferenceChase, 1998Chase, 1998
Comment Data last reviewed in December, 1964 Data last reviewed in December, 1964

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 as indicated in comments:
LL - Sharon G. Lias and Joel F. Liebman
LBLHLM - Sharon G. Lias, John E. Bartmess, Joel F. Liebman, John L. Holmes, Rhoda D. Levin, and W. Gary Mallard
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron

Ionization energy determinations

IE (eV) Method Reference Comment
13.9 ± 0.5EIAsano and Kou, 1988LL
13.37 ± 0.34EIBagarat'yan and Nikitin, 1979LLK
14. ± 0.5EIBlackburn, Buchler, et al., 1966RDSH
13.61PERuscic, Curtiss, et al., 1984Vertical value; LBLHLM

Appearance energy determinations

Ion AE (eV) Other Products MethodReferenceComment
B+16.7 ± 0.5BO2EIAsano and Kou, 1988LL
BO+17.6 ± 0.5BOEIAsano and Kou, 1988LL

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

Sigmau+ 3 BO stretch 1898.9 Ar IR Sekachev, Serebrennikov, et al., 1979
Serebrennikov, 1981
Burkholder and Andrews, 1991
3 BO stretch 1894.6 Kr IR Burkholder and Andrews, 1991
Piu 5 Bend 213 Ar IR Sekachev, Serebrennikov, et al., 1979
Serebrennikov, 1981

Additional references: Jacox, 1994, page 184; Ruscic, Curtiss, et al., 1984


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]

Asano and Kou, 1988
Asano, M.; Kou, T., Thermochemical properties of SrBO2(g) and SrB2O4(s), J. Chem. Thermodyn., 1988, 20, 1149. [all data]

Bagarat'yan and Nikitin, 1979
Bagarat'yan, N.V.; Nikitin, O.T., Electron ionization of vapor over boron oxide, Vestn. Mosk. Univ. Khim., 1979, 34, 539. [all data]

Blackburn, Buchler, et al., 1966
Blackburn, P.E.; Buchler, A.; Stauffer, J.L., Thermodynamics of vaporization in the aluminum oxideboron oxide system, J. Phys. Chem., 1966, 70, 2469. [all data]

Ruscic, Curtiss, et al., 1984
Ruscic, B.M.; Curtiss, L.A.; Berkowitz, J., Photoelectron spectrum and structure of B2O2, J. Chem. Phys., 1984, 80, 3962. [all data]

Sekachev, Serebrennikov, et al., 1979
Sekachev, Yu.N.; Serebrennikov, L.V.; Mal'tsev, A.A., Vestnik Mosk. Univ. Khim., 1979, 20, 589. [all data]

Serebrennikov, 1981
Serebrennikov, L.V., Vestnik. Mosk. Univ. Khim., 1981, 22, 606. [all data]

Burkholder and Andrews, 1991
Burkholder, T.R.; Andrews, L., Reactions of boron atoms with molecular oxygen. Infrared spectra of BO, BO2, B2O2, B2O3, and BO-2 in solid argon, J. Chem. Phys., 1991, 95, 12, 8697, https://doi.org/10.1063/1.461814 . [all data]

Jacox, 1994
Jacox, M.E., Vibrational and electronic energy levels of polyatomic transient molecules, American Chemical Society, Washington, DC, 1994, 464. [all data]


Notes

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