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Phosphorus difluoride


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-116.70kcal/molReviewChase, 1998Data last reviewed in June, 1977
Quantity Value Units Method Reference Comment
gas,1 bar62.849cal/mol*KReviewChase, 1998Data last reviewed in June, 1977

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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View table.

Temperature (K) 298. - 600.600. - 6000.
A 4.48272013.65950
B 30.382910.220033
C -39.19130-0.073740
D 18.732800.009034
E 0.011879-0.394813
F -119.0340-121.9990
G 60.8576077.38351
H -116.6960-116.6960
ReferenceChase, 1998Chase, 1998
Comment Data last reviewed in June, 1977 Data last reviewed in June, 1977

Gas phase ion energetics data

Go To: Top, Gas phase thermochemistry data, Vibrational and/or electronic energy levels, References, Notes

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:
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
B - John E. Bartmess

View reactions leading to F2P+ (ion structure unspecified)

Electron affinity determinations

EA (eV) Method Reference Comment
1.60 ± 0.50EIAEThynne, 1972From PF2NCS. G3MP2B3 calculations indicate an EA of ca. 0.75 eV.; B
1.50 ± 0.50N/AChase Jr., Curnutt, et al., 1982Computations indicate EA ca. 17 kcal/mol; B
>1.60 ± 0.50SIPage and Goode, 1969The Magnetron method, lacking mass analysis, is not considered reliable.; B

Ionization energy determinations

IE (eV) Method Reference Comment
8.84 ± 0.01PEDyke, 1987LBLHLM
8.85 ± 0.01PIBerkowitz, Greene, et al., 1984LBLHLM
<=9.8EITorgerson and Westmore, 1975LLK
9.09 ± 0.01PEDyke, 1987Vertical value; LBLHLM

Vibrational and/or electronic energy levels

Go To: Top, Gas phase thermochemistry data, Gas phase ion energetics 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:   M


 Energy 
 (cm-1
 Med.   Transition   «lambda»min 
 (nm) 
 «lambda»max 
 (nm) 
 References

To = 68505 ± 5 gas Howe, Ashfold, et al., 1994


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

a1 1 Sym. stretch 972 ± 7 gas MPI Howe, Ashfold, et al., 1994
2 Bend 345 ± 3 gas MPI Howe, Ashfold, et al., 1994

State:   L


 Energy 
 (cm-1
 Med.   Transition   «lambda»min 
 (nm) 
 «lambda»max 
 (nm) 
 References

To = 67922 ± 5 gas Howe, Ashfold, et al., 1994


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

a1 1 Sym. stretch 956 ± 2 gas MPI Howe, Ashfold, et al., 1994
2 Bend 358 ± 3 gas MPI Howe, Ashfold, et al., 1994

State:   K


 Energy 
 (cm-1
 Med.   Transition   «lambda»min 
 (nm) 
 «lambda»max 
 (nm) 
 References

To = 66763 ± 5 gas Howe, Ashfold, et al., 1994


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

a1 1 Sym. stretch 956 ± 2 gas MPI Howe, Ashfold, et al., 1994
2 Bend 364 ± 1 gas MPI Howe, Ashfold, et al., 1994

State:   J


 Energy 
 (cm-1
 Med.   Transition   «lambda»min 
 (nm) 
 «lambda»max 
 (nm) 
 References

To = 66118 ± 5 gas Howe, Ashfold, et al., 1994


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

a1 1 Sym. stretch 981 ± 4 gas MPI Howe, Ashfold, et al., 1994
2 Bend 366 ± 1 gas MPI Howe, Ashfold, et al., 1994

State:   I


 Energy 
 (cm-1
 Med.   Transition   «lambda»min 
 (nm) 
 «lambda»max 
 (nm) 
 References

To = 65958 ± 5 gas Howe, Ashfold, et al., 1994


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

a1 1 Sym. stretch 980 ± 4 gas MPI Howe, Ashfold, et al., 1994
2 Bend 365 ± 3 gas MPI Howe, Ashfold, et al., 1994

State:   H


 Energy 
 (cm-1
 Med.   Transition   «lambda»min 
 (nm) 
 «lambda»max 
 (nm) 
 References

To = 60962 ± 5 gas Howe, Ashfold, et al., 1994


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

a1 1 Sym. stretch 1004 ± 2 gas MPI Howe, Ashfold, et al., 1994

State:   G


 Energy 
 (cm-1
 Med.   Transition   «lambda»min 
 (nm) 
 «lambda»max 
 (nm) 
 References

To = 58184 ± 5 gas Howe, Ashfold, et al., 1994


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

a1 1 Sym. stretch 998 ± 2 gas MPI Howe, Ashfold, et al., 1994

State:   F


 Energy 
 (cm-1
 Med.   Transition   «lambda»min 
 (nm) 
 «lambda»max 
 (nm) 
 References

To = 55126 ± 5 gas Howe, Ashfold, et al., 1994


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

a1 1 Sym. stretch 1008 ± 2 gas MPI Howe, Ashfold, et al., 1994

State:   E


 Energy 
 (cm-1
 Med.   Transition   «lambda»min 
 (nm) 
 «lambda»max 
 (nm) 
 References

To = 51932 ± 5 gas Howe, Ashfold, et al., 1994


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

a1 1 Sym. stretch 1016 ± 2 gas MPI Howe, Ashfold, et al., 1994
2 Bend 408 ± 2 gas MPI Howe, Ashfold, et al., 1994

State:   C


 Energy 
 (cm-1
 Med.   Transition   «lambda»min 
 (nm) 
 «lambda»max 
 (nm) 
 References

To = 45000 T gas Biehl, Boule, et al., 1998

State:   B


 Energy 
 (cm-1
 Med.   Transition   «lambda»min 
 (nm) 
 «lambda»max 
 (nm) 
 References

To = 23998 ± 6 gas a-X 400 520 Zhao and Setser, 1993
Biehl, Boule, et al., 1998

State:   A


 Energy 
 (cm-1
 Med.   Transition   «lambda»min 
 (nm) 
 «lambda»max 
 (nm) 
 References

gas A-X 320 550 Biehl, Boule, et al., 1998

State:   a


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

a1 1 Sym. stretch 505 ± 2 gas EM Zhao and Setser, 1993
2 Bend 219 gas EM Zhao and Setser, 1993

State:   X


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

a1 1 Sym. stretch 841 ± 4 gas EM Zhao and Setser, 1993
1 Sym. stretch 852.1 m s Ar IR Burdett, Hodges, et al., 1970
2 Bend 366 gas MW EM Saito, Endo, et al., 1986
Zhao and Setser, 1993
b2 3 Asym. stretch 848 ± 24 gas MW Saito, Endo, et al., 1986
3 Asym. stretch 831.4 s Ar IR Burdett, Hodges, et al., 1970

Additional references: Jacox, 1994, page 108; Jacox, 1998, page 202; Jacox, 2003, page 146

Notes

mMedium
sStrong
TTentative assignment or approximate value
oEnergy separation between the v = 0 levels of the excited and electronic ground states.

References

Go To: Top, Gas phase 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]

Thynne, 1972
Thynne, J.C.J., Negative Ion Studies with a Time-of-Flight Mass Spectrometer., Dyn. Mass Spectrom., 1972, 3, 67. [all data]

Chase Jr., Curnutt, et al., 1982
Chase Jr.; Curnutt, J.L.; Downy Jr.; McDonald, R.A.; Syverrud, A.N.; Valenzuela, E.A., JANAF Thermochemical Tables 1982 Supplement, J. Phys. Chem. Ref. Data, 1982, 11, 3, 695, https://doi.org/10.1063/1.555666 . [all data]

Page and Goode, 1969
Page, F.M.; Goode, G.C., Negative Ions and the Magnetron., Wiley, NY, 1969. [all data]

Dyke, 1987
Dyke, J.M., Properties of gas-phase ions, J. Chem. Soc. Faraday Trans., 1987, 83, 69. [all data]

Berkowitz, Greene, et al., 1984
Berkowitz, J.; Greene, J.P.; Foropoulos, J., Jr.; Neskovic, O.M., Bonding and ionization energies of N-F and P-F compounds, J. Chem. Phys., 1984, 81, 6166. [all data]

Torgerson and Westmore, 1975
Torgerson, D.F.; Westmore, J.B., Energetics of the ionization and fragmentation of phosphorus trifluoride by electron impact, Can. J. Chem., 1975, 53, 933. [all data]

Howe, Ashfold, et al., 1994
Howe, J.D.; Ashfold, M.N.R.; Hudgens, J.W.; Johnson, R.D., III, Observation of the PF2 radical by resonance enhanced multiphoton ionization spectroscopy, J. Chem. Phys., 1994, 101, 5, 3549, https://doi.org/10.1063/1.468429 . [all data]

Biehl, Boule, et al., 1998
Biehl, H.; Boule, K.J.; Seccombe, D.P.; Tuckett, R.P.; Baumgartel, H.; Jochims, H.W., Vacuum-UV fluorescence spectroscopy of PF[sub 3] in the range 9--20 eV, J. Chem. Phys., 1998, 108, 3, 857, https://doi.org/10.1063/1.475449 . [all data]

Zhao and Setser, 1993
Zhao, Y.; Setser, D.W., Generation of the PF2(ã 4A2) radical and assignment of the PF2(ã--) emission spectrum, Chem. Phys. Lett., 1993, 210, 4-6, 362, https://doi.org/10.1016/0009-2614(93)87037-4 . [all data]

Burdett, Hodges, et al., 1970
Burdett, J.K.; Hodges, L.; Dunning, V.; Current, J.H., Infrared studies of the matrix isolated photolysis products of PF2H and P2F4 and the thermal decomposition products of P2F4, J. Phys. Chem., 1970, 74, 23, 4053, https://doi.org/10.1021/j100717a008 . [all data]

Saito, Endo, et al., 1986
Saito, S.; Endo, Y.; Hirota, E., The microwave spectrum of the PF2 radical in the X 2B1 ground vibronic state, J. Chem. Phys., 1986, 85, 4, 1778, https://doi.org/10.1063/1.451837 . [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]

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]

Jacox, 2003
Jacox, M.E., Vibrational and electronic energy levels of polyatomic transient molecules: supplement B, J. Phys. Chem. Ref. Data, 2003, 32, 1, 1-441, https://doi.org/10.1063/1.1497629 . [all data]


Notes

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