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beryllium fluoride

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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-190.25kcal/molReviewChase, 1998Data last reviewed in June, 1970
Quantity Value Units Method Reference Comment
gas,1 bar54.388cal/mol*KReviewChase, 1998Data last reviewed in June, 1970

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) 2000. - 6000.
A 14.70150
B 0.112325
C -0.022603
D 0.001558
E -0.771553
F -196.6370
G 69.29670
H -190.2500
ReferenceChase, 1998
Comment Data last reviewed in June, 1970

Condensed 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
Deltafliquid-244.276kcal/molReviewChase, 1998Data last reviewed in June, 1970
Quantity Value Units Method Reference Comment
liquid,1 bar14.31cal/mol*KReviewChase, 1998Data last reviewed in June, 1970
Quantity Value Units Method Reference Comment
Deltafsolid-245.399kcal/molReviewChase, 1998Data last reviewed in June, 1970
Quantity Value Units Method Reference Comment
solid12.78cal/mol*KReviewChase, 1998Data last reviewed in June, 1970

Liquid 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) 825. - 2000.
A 12.09720
B 10.18580
C -1.948160
D 0.413800
E -0.271480
F -249.2321
G 24.46960
H -244.2761
ReferenceChase, 1998
Comment Data last reviewed in June, 1970

Solid 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. - 500.500. - 825.
A 27.3071911.32580
B -61.373497.984891
C 93.203490.014475
D 0.000000-0.004781
E -0.436366-0.000336
F -253.0880-248.9720
G 57.5262024.37001
H -245.4001-245.4001
ReferenceChase, 1998Chase, 1998
Comment Data last reviewed in June, 1970 Data last reviewed in June, 1970

Phase change 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:
AC - William E. Acree, Jr., James S. Chickos

Enthalpy of vaporization

DeltavapH (kcal/mol) Temperature (K) Method Reference Comment
53.25923.TE,ME,GSGreenbaum, Foster, et al., 1963Based on data from 823. - 1223. K.; AC
46.99911.N/ANovoselova, Semenenko, et al., 1958Based on data from 821. - 1002. K.; AC
50.10911.N/ASense and Stone, 1958Based on data from 802. - 1021. K.; AC
50.88856.GSSense, Snyder, et al., 1954Based on data from 745. - 968. K.; AC

Antoine Equation Parameters

log10(P) = A − (B / (T + C))
    P = vapor pressure (atm)
    T = temperature (K)

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Temperature (K) A B C Reference Comment
1145.6 - 1372.6.136287577.291-211.665Cantor, 1965Coefficents calculated by NIST from author's data.

Enthalpy of sublimation

DeltasubH (kcal/mol) Temperature (K) Method Reference Comment
56.50 ± 0.69750.TEBlauer, Greenbaum, et al., 1965Based on data from 713. - 795. K.; AC
55.40 ± 0.41755.MSBlauer, Greenbaum, et al., 1965AC

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

Fluorine anion + BeF2 = (Fluorine anion bullet BeF2)

By formula: F- + BeF2 = (F- bullet BeF2)

Quantity Value Units Method Reference Comment
Deltar97.3 ± 2.3kcal/molTDEqNikitin, Sorokin, et al., 1980gas phase; Fluoride Affinity: 19.9±1.7 kcal < AlF3; value altered from reference due to conversion from electron convention to ion convention

AlF4- + BeF2 = (AlF4- bullet BeF2)

By formula: AlF4- + BeF2 = (AlF4- bullet BeF2)

Quantity Value Units Method Reference Comment
Deltar43.5 ± 2.5kcal/molTDAsNikitin, Sorokin, et al., 1980gas phase; value altered from reference due to conversion from electron convention to ion convention

Be2F5- + BeF2 = (Be2F5- bullet BeF2)

By formula: Be2F5- + BeF2 = (Be2F5- bullet BeF2)

Quantity Value Units Method Reference Comment
Deltar41.8 ± 2.5kcal/molN/ANikitin, Sorokin, et al., 1980gas phase; value altered from reference due to conversion from electron convention to ion convention

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
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron

Ionization energy determinations

IE (eV) Method Reference Comment
14.5 ± 1.0EIFarber and Srivastava, 1974LLK
14.7 ± 0.4EIHildenbrand and Murad, 1966RDSH
14.5 ± 0.4EIHildenbrand and Theard, 1965RDSH

Appearance energy determinations

Ion AE (eV) Other Products MethodReferenceComment
Be+28.3 ± 1.0?EIHildenbrand and Theard, 1965RDSH
BeF+15.5FEIHildenbrand and Murad, 1966RDSH
BeF+15.4 ± 0.4FEIHildenbrand and Theard, 1965RDSH

Ion clustering 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. Searches may be limited to ion clustering reactions. A general reaction search form is also available.

Clustering reactions

AlF4- + BeF2 = (AlF4- bullet BeF2)

By formula: AlF4- + BeF2 = (AlF4- bullet BeF2)

Quantity Value Units Method Reference Comment
Deltar43.5 ± 2.5kcal/molTDAsNikitin, Sorokin, et al., 1980gas phase; value altered from reference due to conversion from electron convention to ion convention

Be2F5- + BeF2 = (Be2F5- bullet BeF2)

By formula: Be2F5- + BeF2 = (Be2F5- bullet BeF2)

Quantity Value Units Method Reference Comment
Deltar41.8 ± 2.5kcal/molN/ANikitin, Sorokin, et al., 1980gas phase; value altered from reference due to conversion from electron convention to ion convention

Fluorine anion + BeF2 = (Fluorine anion bullet BeF2)

By formula: F- + BeF2 = (F- bullet BeF2)

Quantity Value Units Method Reference Comment
Deltar97.3 ± 2.3kcal/molTDEqNikitin, Sorokin, et al., 1980gas phase; Fluoride Affinity: 19.9±1.7 kcal < AlF3; value altered from reference due to conversion from electron convention to ion convention

Vibrational and/or electronic energy levels

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, Ion clustering data, References, Notes

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

Sigmag+ 1 Sym. stretch 769.09 gas IR Yu, Shayesteh, et al., 2005
Piu 2 Bend 342.61 gas IR Yu, Shayesteh, et al., 2005
2 Bend 330 s Ne IR Snelson, 1966
2 Bend 309 s Ar IR Snelson, 1966
2 Bend 302 s Kr IR Snelson, 1966
Sigmau+ 3 Asym. stretch 1555.05 gas IR Frum, Engleman, et al., 1991
Yu, Shayesteh, et al., 2005
3 Asym. stretch 1542 vs Ne IR Snelson, 1966
3 Asym. stretch 1528 vs Ar IR Snelson, 1966
3 Asym. stretch 1524 vs Kr IR Snelson, 1966

Additional references: Jacox, 1994, page 83; Buchler, Stauffer, et al., 1964

Notes

sStrong
vsVery strong

References

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, Ion clustering 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]

Greenbaum, Foster, et al., 1963
Greenbaum, Michael A.; Foster, James N.; Arin, M. Louis; Farber, Milton, THE THERMODYNAMIC AND PHYSICAL PROPERTIES OF BERYLLIUM COMPOUNDS. I. ENTHALPY AND ENTROPY OF VAPORIZATION OF BERYLLIUM FLUORIDE 1,2, J. Phys. Chem., 1963, 67, 1, 36-40, https://doi.org/10.1021/j100795a009 . [all data]

Novoselova, Semenenko, et al., 1958
Novoselova, A.V.; Semenenko, K.N.; Turova, O.Ya., Vestn. Mosk. Univ., Ser. Mat., Mekh., Astron., Fiz., Khim., 1958, 13, 139. [all data]

Sense and Stone, 1958
Sense, Karl A.; Stone, Richard W., Vapor Pressures and Molecular Composition of Vapors of the Sodium Fluoride-Beryllium Fluoride System, J. Phys. Chem., 1958, 62, 4, 453-457, https://doi.org/10.1021/j150562a020 . [all data]

Sense, Snyder, et al., 1954
Sense, K.A.; Snyder, M.J.; Clegg, J.W., The Vapor Pressure of Beryllium Fluoride, J. Phys. Chem., 1954, 58, 3, 223-224, https://doi.org/10.1021/j150513a008 . [all data]

Cantor, 1965
Cantor, S., Vapor Pressures of BeF2 and NiF2, J. Chem. Eng. Data, 1965, 10, 3, 237-238, https://doi.org/10.1021/je60026a008 . [all data]

Blauer, Greenbaum, et al., 1965
Blauer, Jay A.; Greenbaum, Michael A.; Farber, Milton, The Thermodynamic and Physical Properties of Beryllium Compounds. VII. Enthalpy and Entropy of Sublimation of Beryllium Fluoride, J. Phys. Chem., 1965, 69, 3, 1069-1070, https://doi.org/10.1021/j100887a508 . [all data]

Nikitin, Sorokin, et al., 1980
Nikitin, M.I.; Sorokin, I.D.; Skokan, E.V.; Sidorov, L.N., Negative Ions in the Saturated Vapors of the Potassium Fluoride - Hafnium Tetrafluoride and Potassium Fluoride - Beryllium Difluoride Systems, Russ. J. Phys. Chem., 1980, 54, page]. [all data]

Farber and Srivastava, 1974
Farber, M.; Srivastava, R.D., Dissociation energies of BeF and BeCl and the heat of formation of BeClF, J. Chem. Soc. Faraday Trans. 1, 1974, 70, 1581. [all data]

Hildenbrand and Murad, 1966
Hildenbrand, D.L.; Murad, E., Mass-spectrometric determination of the dissociation energy of beryllium monofluoride, J. Chem. Phys., 1966, 44, 1524. [all data]

Hildenbrand and Theard, 1965
Hildenbrand, D.L.; Theard, L.P., Effusion studies, mass spectra, and thermodynamics of beryllium fluoride vapor, J. Chem. Phys., 1965, 42, 3230. [all data]

Yu, Shayesteh, et al., 2005
Yu, S.; Shayesteh, A.; Bernath, P.F.; Koput, J., The vibration-rotation emission spectrum of hot BeF[sub 2], J. Chem. Phys., 2005, 123, 13, 134303, https://doi.org/10.1063/1.2039085 . [all data]

Snelson, 1966
Snelson, A., Infrared Spectra of Some Alkaline Earth Halides by the Matrix Isolation Technique, J. Phys. Chem., 1966, 70, 10, 3208, https://doi.org/10.1021/j100882a031 . [all data]

Frum, Engleman, et al., 1991
Frum, C.I.; Engleman, R., Jr.; Bernath, P.F., Fourier transform emission spectroscopy of BeF2 at 6.5 «mu»m, J. Chem. Phys., 1991, 95, 3, 1435, https://doi.org/10.1063/1.461056 . [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]

Buchler, Stauffer, et al., 1964
Buchler, A.; Stauffer, J.L.; Klemperer, W., None, J. Am. Chem. Soc., 1964, 86, 21, 4544, https://doi.org/10.1021/ja01075a007 . [all data]


Notes

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, Ion clustering data, Vibrational and/or electronic energy levels, References