Boron 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
Δfgas-68.000kcal/molReviewChase, 1998Data last reviewed in June, 1968
Quantity Value Units Method Reference Comment
gas,1 bar54.926cal/mol*KReviewChase, 1998Data last reviewed in June, 1968

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. to 1100.1100. to 6000.
A 5.91177215.18720
B 19.41190-0.263641
C -16.414100.066504
D 5.028631-0.002432
E -0.002877-1.083110
F -70.50019-75.25229
G 56.9618169.53540
H -68.00010-68.00010
ReferenceChase, 1998Chase, 1998
Comment Data last reviewed in June, 1968 Data last reviewed in June, 1968

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:
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
B - John E. Bartmess

View reactions leading to BO2+ (ion structure unspecified)

Electron affinity determinations

EA (eV) Method Reference Comment
4.460 ± 0.030LPESZhai, Wang, et al., 2007B
4.32 ± 0.19R-ASemenikin, Minaeva, et al., 1987Also BO2 neutral = -69.8±2.0 kcal/mol from TDEq.; value altered from reference due to conversion from electron convention to ion convention; B
4.51 ± 0.21R-ASidorov, Rudnyi, et al., 1983value altered from reference due to conversion from electron convention to ion convention; B
4.19 ± 0.31TDEqJensen, 1970B
3.40 ± 0.50EIAEShevchenko, Iljin, et al., 1976From K2BO2F; B
3.28 ± 0.13TDEqSrivastava, Uy, et al., 1971EA(BO2) < EA(Cl) by 7.7 kcal, new ΔHf(BO2) and EA(Cl) used; B

Ionization energy determinations

IE (eV) Method Reference Comment
12.7 ± 0.4DERBagarat'yan and Nikitin, 1979LLK
14. ± 1.EIBagarat'yan and Nikitin, 1979LLK
14.0 ± 1.0EIUy, Srivastava, et al., 1971LLK

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]

Zhai, Wang, et al., 2007
Zhai, H.J.; Wang, L.M.; Li, S.D.; Wang, L.S., Vibrationally resolved photoelectron spectroscopy of BO- and BO2-: A joint experimental and theoretical study, J. Phys. Chem. A, 2007, 111, 6, 1030-1035, https://doi.org/10.1021/jp0666939 . [all data]

Semenikin, Minaeva, et al., 1987
Semenikin, V.I.; Minaeva, I.I.; Sorokin, I.D.; Nikitin, M.I.; Rudnyi, E.B.; Sidorov, L.N., Mass Spectrometric Determination of the Enthalpy of Formation and Electron Affinity of BO2, High Temp. Phys. (Engl.), 1987, 25, 497. [all data]

Sidorov, Rudnyi, et al., 1983
Sidorov, L.N.; Rudnyi, E.B.; Nikitin, M.I.; Sorokin, I.D., Gas Phase Anion Exchange Reactions and the Determination of the Heats of Formation of Metaphosphate (PO3-), metaborate (BO2-), and perrhennate (ReO4-), Dokl. Akad. Nauk SSSR Ser. Khim., 1983, 272, 1172. [all data]

Jensen, 1970
Jensen, D.E., Electron Attachment and Compound Formation in Flames. II. Mass Spectrometry of Boron-Containing Flames, J. Chem. Phys., 1970, 52, 6, 3305, https://doi.org/10.1063/1.1673481 . [all data]

Shevchenko, Iljin, et al., 1976
Shevchenko, V.E.; Iljin, M.K.; Nikitin, O.T.; Sidorov, L.N., Mass-spectrometric study of mixed dimers M2BO2F, Int. J. Mass Spectrom. Ion Phys., 1976, 21, 279. [all data]

Srivastava, Uy, et al., 1971
Srivastava, R.D.; Uy, O.M.; Farber, M., Effusion mass spectrometric study of thermodynamic properties of BO- and BO2-, J. Chem. Soc. Faraday Trans., 1971, 67, 2941. [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]

Uy, Srivastava, et al., 1971
Uy, O.M.; Srivastava, R.D.; Farber, M., Mass spectrometric determination of the heats of formation of gaseous BO2 BOF2, High Temp. Sci., 1971, 3, 462. [all data]


Notes

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