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Thiophosphoryl fluoride


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-1009.07kJ/molReviewChase, 1998Data last reviewed in December, 1969
Quantity Value Units Method Reference Comment
gas,1 bar298.12J/mol*KReviewChase, 1998Data last reviewed in December, 1969

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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Temperature (K) 298. - 1400.1400. - 6000.
A 64.85660107.8125
B 91.506170.140373
C -72.29617-0.026427
D 19.938520.001728
E -1.045871-5.145191
F -1035.385-1055.862
G 346.4821406.3133
H -1009.068-1009.068
ReferenceChase, 1998Chase, 1998
Comment Data last reviewed in December, 1969 Data last reviewed in December, 1969

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 + Thiophosphoryl fluoride = (Fluorine anion bullet Thiophosphoryl fluoride)

By formula: F- + F3PS = (F- bullet F3PS)

Quantity Value Units Method Reference Comment
Deltar201. ± 38.kJ/molIMRBRhyne and Dillard, 1971gas phase; Fluoride Affinity: between SF4, SF5. Original value 32±10, now altered with new aff.

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
11.1 ± 0.3EIKiser, Dillard, et al., 1969RDSH
11.05 ± 0.035PEElbel and Dieck, 1976Vertical value; LLK

Appearance energy determinations

Ion AE (eV) Other Products MethodReferenceComment
PF+22.9 ± 0.4?EIKiser, Dillard, et al., 1969RDSH
PF2+17.2 ± 0.3?EIKiser, Dillard, et al., 1969RDSH
PSF2+16.0 ± 0.2FEIKiser, Dillard, et al., 1969RDSH
PF3+14.3 ± 0.2SEIKiser, Dillard, et al., 1969RDSH
PS+19.2 ± 0.5?EIKiser, Dillard, et al., 1969RDSH

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

Fluorine anion + Thiophosphoryl fluoride = (Fluorine anion bullet Thiophosphoryl fluoride)

By formula: F- + F3PS = (F- bullet F3PS)

Quantity Value Units Method Reference Comment
Deltar201. ± 38.kJ/molIMRBRhyne and Dillard, 1971gas phase; Fluoride Affinity: between SF4, SF5. Original value 32±10, now altered with new aff.

Vibrational and/or electronic energy levels

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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: Takehiko Shimanouchi

Symmetry:   C3nu     Symmetry Number sigma = 3


 Sym.   No   Approximate   Selected Freq.  Infrared   Raman   Comments 
 Species   type of mode   Value   Rating   Value  Phase  Value  Phase

a1 1 PF3 s-str 981  B 981 VS gas 969 p liq.
a1 2 PS str 695  B 695 M gas 696 p liq.
a1 3 PF3 s-deform 440  B 440 M gas 441 p liq.
e 4 PF3 d-str 945  B 945 VS gas 937 dp liq.
e 5 PF3 d-deform 402  C 402 M gas 404 dp liq.
e 6 PF3 rock 275  B 275 W gas 276 dp liq.

Source: Shimanouchi, 1972

Notes

VSVery strong
MMedium
WWeak
pPolarized
dpDepolarized
B1~3 cm-1 uncertainty
C3~6 cm-1 uncertainty

References

Go To: Top, Gas phase thermochemistry 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]

Rhyne and Dillard, 1971
Rhyne, T.C.; Dillard, J.G., Reactions of gaseous inorganic negative ions: III. SF6- with POF3 and PSF3, Int. J. Mass Spectrom. Ion Phys., 1971, 7, 371. [all data]

Kiser, Dillard, et al., 1969
Kiser, R.W.; Dillard, J.G.; Dugger, D.L., Mass spectrometry of inorganic halides, Advan. Chem. Ser., 1969, 72, 153. [all data]

Elbel and Dieck, 1976
Elbel, S.; Dieck, H.t., Photoelectron spectra of group 5 compounds. Part IV. A study of the E-X bond in R3EX compounds (R = Me or F; E = N or P; X = O or S), J. Chem. Soc. Dalton Trans., 1976, 1757. [all data]

Shimanouchi, 1972
Shimanouchi, T., Tables of Molecular Vibrational Frequencies Consolidated Volume II, J. Phys. Chem. Ref. Data, 1972, 6, 3, 993-1102. [all data]


Notes

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