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Phosphorus difluoride


Gas phase thermochemistry data

Go To: Top, 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.

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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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

Vibrational and/or electronic energy levels

Go To: Top, Gas phase thermochemistry 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, 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]

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, Vibrational and/or electronic energy levels, References