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Phosphorus monofluoride


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-52.25kJ/molReviewChase, 1998Data last reviewed in June, 1977
Quantity Value Units Method Reference Comment
gas,1 bar224.96J/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 (J/mol*K)
    H° = standard enthalpy (kJ/mol)
    S° = standard entropy (J/mol*K)
    t = temperature (K) / 1000.

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View table.

Temperature (K) 298. - 6000.
A 34.66975
B 2.633695
C -0.298329
D 0.020090
E -0.349504
F -63.86834
G 264.1811
H -52.25021
ReferenceChase, 1998
Comment Data last reviewed in June, 1977

Gas phase ion energetics data

Go To: Top, Gas phase thermochemistry data, Constants of diatomic molecules, 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:
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

View reactions leading to FP+ (ion structure unspecified)

Ionization energy determinations

IE (eV) Method Reference Comment
9.60 ± 0.01PEButcher, Dyke, et al., 1988LL
<=11.4 ± 0.6EITorgerson and Westmore, 1975LLK
9.74 ± 0.01PEDyke, Jonathan, et al., 1982Vertical value; LBLHLM

Constants of diatomic molecules

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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: Klaus P. Huber and Gerhard H. Herzberg

Data collected through July, 1977

Symbols used in the table of constants
SymbolMeaning
State electronic state and / or symmetry symbol
Te minimum electronic energy (cm-1)
ωe vibrational constant – first term (cm-1)
ωexe vibrational constant – second term (cm-1)
ωeye vibrational constant – third term (cm-1)
Be rotational constant in equilibrium position (cm-1)
αe rotational constant – first term (cm-1)
γe rotation-vibration interaction constant (cm-1)
De centrifugal distortion constant (cm-1)
βe rotational constant – first term, centrifugal force (cm-1)
re internuclear distance (Å)
Trans. observed transition(s) corresponding to electronic state
ν00 position of 0-0 band (units noted in table)
Diatomic constants for 31P19F
StateTeomegaeomegaexeomegaeyeBealphaegammaeDebetaereTrans.nu00
R shaded triple heads in the region 15600 - 17900 cm-1,tentatively assigend by Skolnik and Goodfriend, 1974 to a triplet system of PF with omega" ~ 1135, probably belong to the D rarrow B system of PO (0-0, 0-1, 0-2 bands). Several unassigned bands in teh region 16200 - 25500 cm-1. Skolnik and Goodfriend, 1974
g 1Pi [52063.6]    [0.6186]   [0.85E-6]  [1.5213] g rarrow b V 38277.74 Z
Douglas and Frackowiak, 1962
           g rarrow a V 44544.80 Z
Douglas and Frackowiak, 1962
d 1Pi 36024 [413.19] Z 1  0.4848 (0.0062)  [2.8E-6]  1.718 d rarrow b R 22444.95 Z
missing citation
           d rarrow a R 28712.14 Z
Douglas and Frackowiak, 1962
StateTeomegaeomegaexeomegaeyeBealphaegammaeDebetaereTrans.nu00
B 3Pi2 29827 [435.86] Z   0.4693 0.0038 2    1.7522 B rarrow X R 29623.06 Z
missing citation
B 3Pi1 29686 3 [435.91] Z   0.4663 0.0038 2    1.7522 B rarrow X R 29481.80 Z
missing citation
B 3Pi0 29543 [436.06] Z 4  0.4632 5 0.0038 2    1.7522 B rarrow X R 29338.68 Z
missing citation
b 1Sigma+ 13353.90 866.14 Z 4.51  0.5725 0.0045  [0.9E-6]  1.5813 b rarrow X V 13363.59 Z
missing citation
StateTeomegaeomegaexeomegaeyeBealphaegammaeDebetaereTrans.nu00
a 1Delta 7090.43 858.79 Z 4.438 0.0147 0.5699 0.00467  [1.0E-6]  1.5849  
X 3Sigma- 0 846.75 Z 4.489 0.019 0.5665 6 0.00456    1.5897  

Notes

1DeltaG(3/2) = 416.57, DeltaG(5/2)= 418.96, DeltaG(7/2)= 420.98.
2Notice that Table VIII of Douglas and Frackowiak, 1962 contains a number of misprints leading to disagreement with constants in Table XI.
3A0 = +143.06, A1 = +142.87; see Kovacs, 1964 who also accounts for spin-rotation interaction and for the combined effects of spin-spin interaction and perturbations by 1Pi states.
4DeltaG(3/2) = 437.37.
5Lambda-type doubling independent of J, Lambda(v=0) ~0.07 cm-1 , Lambda(v=1) ~0.16 cm-1 , Lambda(v=2) ~0.25 cm-1 Douglas and Frackowiak, 1962.
6Spin-splitting constants lambda0 = +2.9623, gamma0 = +0.0018.
7Spin-splitting constant gamma = 0.0073.
8A = +323.95.

References

Go To: Top, Gas phase thermochemistry data, Gas phase ion energetics data, Constants of diatomic molecules, 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]

Butcher, Dyke, et al., 1988
Butcher, V.; Dyke, J.M.; Lewis, A.E.; Morris, A.; Ridha, A., A study of the ground electronic states of the isoelectronic ions PF+ and NCl+ by vacuum ultraviolet photoelectron spectroscopy, J. Chem. Soc. Faraday Trans. 2, 1988, 84, 299. [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]

Dyke, Jonathan, et al., 1982
Dyke, J.M.; Jonathan, N.; Morris, A., Recent progress in the study of transient species with vacuum ultraviolet photoelectron spectroscopy, Int. Rev. Phys. Chem., 1982, 2, 3. [all data]

Skolnik and Goodfriend, 1974
Skolnik, E.G.; Goodfriend, P.L., New emission bands from microwave discharges in argon containing phosphorus-fluorine compounds, J. Mol. Spectrosc., 1974, 50, 202. [all data]

Douglas and Frackowiak, 1962
Douglas, A.E.; Frackowiak, M., The electronic spectra of PF and PF+, Can. J. Phys., 1962, 40, 832. [all data]

Kovacs, 1964
Kovacs, I., Rotational fine structure of the 3«PI» state of PF, Can. J. Phys., 1964, 42, 2180. [all data]


Notes

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