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Phosphorus trichloride

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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-288.70kJ/molReviewChase, 1998Data last reviewed in June, 1970
Quantity Value Units Method Reference Comment
gas,1 bar311.64J/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 (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 81.94782
B 1.019637
C -0.276076
D 0.023549
E -0.964224
F -316.4050
G 405.0924
H -288.6964
ReferenceChase, 1998
Comment 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:
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Kenneth Kroenlein director

Quantity Value Units Method Reference Comment
Tc564.KN/ASladkov and Shimeleva, 1974Uncertainty assigned by TRC = 2. K; TRC
Quantity Value Units Method Reference Comment
Vc0.237l/molN/ASladkov and Shimeleva, 1974Uncertainty assigned by TRC = 0.005 l/mol; Abstract, no details; TRC

Antoine Equation Parameters

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

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Temperature (K) A B C Reference Comment
221.6 - 347.34.195051304.47-36.965Stull, 1947Coefficents calculated by NIST from author's data.

In addition to the Thermodynamics Research Center (TRC) data available from this site, much more physical and chemical property data is available from the following TRC products:


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

Chlorine anion + Phosphorus trichloride = Cl4P-

By formula: Cl- + Cl3P = Cl4P-

Quantity Value Units Method Reference Comment
Deltar90.0 ± 7.1kJ/molCIDTWalker, Check, et al., 2002gas phase

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 evaluated as indicated in comments:
L - Sharon G. Lias

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

View reactions leading to Cl3P+ (ion structure unspecified)

Quantity Value Units Method Reference Comment
IE (evaluated)9.90 ± 0.01eVN/AN/AL

Electron affinity determinations

EA (eV) Method Reference Comment
0.82 ± 0.10NBIEMathur, Rothe, et al., 1976B
>3.61223IMRBHalmann and Klein, 1964From PCl5; B

Ionization energy determinations

IE (eV) Method Reference Comment
9.90 ± 0.01PIPECORuede, Troxler, et al., 1993LL
9.9 ± 0.1EIOzgen, 1983LBLHLM
10.5 ± 0.1EIVarmuza and Krenmayr, 1971LLK
10.18 ± 0.10PELloyd, 1970RDSH
9.91PIPrice and Passmore, 1963RDSH
10.52PEChattorpadhyay, Findley, et al., 1981Vertical value; LLK
10.54PEDaamen, Boxhoorn, et al., 1978Vertical value; LLK
10.52PENicholson and Rademacher, 1974Vertical value; LLK
10.51PEBerkosky, Ellison, et al., 1973Vertical value; LLK
10.52 ± 0.03PECox, Evans, et al., 1972Vertical value; LLK
10.5PEBetteridge, Thompson, et al., 1972Vertical value; LLK

Appearance energy determinations

Ion AE (eV) Other Products MethodReferenceComment
Cl+15.7 ± 0.1?EIOzgen, 1983LBLHLM
Cl+19.8 ± 0.4?EIHalmann and Klein, 1964, 2RDSH
ClP+16.0 ± 0.22ClPIPECORuede, Troxler, et al., 1993LL
ClP+14.5 ± 0.1Cl2/2ClEIOzgen, 1983LBLHLM
ClP+16.0 ± 0.2Cl2/2ClEIVarmuza and Krenmayr, 1971LLK
PCl+16.8 ± 0.3?EIKiser, Dillard, et al., 1969RDSH
PCl+16.5 ± 0.5?EIHalmann and Klein, 1964, 2RDSH
PCl+16.8 ± 0.3?EISandoval, Moser, et al., 1963RDSH
Cl2P+11.61 ± 0.01ClPIPECORuede, Troxler, et al., 1993LL
Cl2P+11.1 ± 0.1ClEIOzgen, 1983LBLHLM
Cl2P+11.9 ± 0.1ClEIVarmuza and Krenmayr, 1971LLK
PCl2+12.3 ± 0.2ClEIKiser, Dillard, et al., 1969RDSH
PCl2+11.8 ± 0.5Cl-EIHalmann and Klein, 1964, 2RDSH
PCl2+12.3 ± 0.2ClEISandoval, Moser, et al., 1963RDSH
P+16.8 ± 0.1?EIOzgen, 1983LBLHLM
P+18.5 ± 0.7Cl2+ClEIVarmuza and Krenmayr, 1971LLK
P+21.0 ± 0.5?EIHalmann and Klein, 1964, 2RDSH
P+21.2 ± 0.5?EISandoval, Moser, et al., 1963RDSH

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

Chlorine anion + Phosphorus trichloride = Cl4P-

By formula: Cl- + Cl3P = Cl4P-

Quantity Value Units Method Reference Comment
Deltar90.0 ± 7.1kJ/molCIDTWalker, Check, et al., 2002gas phase

Mass spectrum (electron ionization)

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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: NIST Mass Spectrometry Data Center, William E. Wallace, director

Spectrum

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Mass spectrum
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Additional Data

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Owner NIST Mass Spectrometry Data Center
Collection (C) 2014 copyright by the U.S. Secretary of Commerce
on behalf of the United States of America. All rights reserved.
Origin Eric Wils, TNO Prins Maurits Laboratory, The Netherlands.
NIST MS number 273564

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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 Sym str 504  C 504 gas 510 p liq.
a1 2 Sym deform 252  C 252 gas 257 p liq.
e 3 Deg str 482  C 482 gas 480 dp liq.
e 4 Deg deform 198  C 198 gas 190 dp liq.

Source: Shimanouchi, 1972

Notes

pPolarized
dpDepolarized
C3~6 cm-1 uncertainty

References

Go To: Top, Gas phase thermochemistry data, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, Ion clustering data, Mass spectrum (electron ionization), Vibrational and/or electronic energy levels, NIST Free Links, 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]

Sladkov and Shimeleva, 1974
Sladkov, I.B.; Shimeleva, V.I., Russ. J. Phys. Chem. (Engl. Transl.), 1974, 48, 154. [all data]

Stull, 1947
Stull, Daniel R., Vapor Pressure of Pure Substances. Organic and Inorganic Compounds, Ind. Eng. Chem., 1947, 39, 4, 517-540, https://doi.org/10.1021/ie50448a022 . [all data]

Walker, Check, et al., 2002
Walker, B.W.; Check, C.E.; Lobring, K.C.; Pommerening, C.A.; Sunderlin, L.S., The Thermochemistry of Group 15 Tetrachloride Anions, J. Am. Soc. Mass Spectrom., 2002, 13, 5, 469, https://doi.org/10.1016/S1044-0305(02)00369-0 . [all data]

Mathur, Rothe, et al., 1976
Mathur, B.P.; Rothe, E.W.; Tang, S.Y.; Reck, G., Negative ions from phosphorus halides due to cesium charge exchange, J. Chem. Phys., 1976, 64, 565. [all data]

Halmann and Klein, 1964
Halmann, M.; Klein, Y., Positive and Negative Ion Mass Spectra of Phosphorous Compounds, Adv. Mass Spectrom., 1964, 3, 267. [all data]

Ruede, Troxler, et al., 1993
Ruede, R.; Troxler, H.; Beglinger, C.; Jungen, M., The dissociation energies of the positive ions NH3+, NF3+, PH3+, PF3+ and PCl3+, Chem. Phys. Lett., 1993, 203, 477. [all data]

Ozgen, 1983
Ozgen, T., Mass spectrometric determination of the appearance potentials of PCl3, AsCl3, SbCl3, BiCl3 and their fragments, Int. J. Mass Spectrom. Ion Processes, 1983, 48, 427. [all data]

Varmuza and Krenmayr, 1971
Varmuza, K.; Krenmayr, P., Massenspektrometrische untersuchungen einfacher und gemischter phosphortrihalogenide, Monatsh. Chem., 1971, 102, 1037. [all data]

Lloyd, 1970
Lloyd, D.R., The failure of electron impact measurements to detect first ionization potentials in some molecules, Intern. J. Mass Spectrom. Ion Phys., 1970, 4, 500. [all data]

Price and Passmore, 1963
Price, W.C.; Passmore, T.R., [Title unavailable], Faraday Discuss. Chem. Soc., 1963, 35, 232. [all data]

Chattorpadhyay, Findley, et al., 1981
Chattorpadhyay, S.; Findley, G.L.; McGlynn, S.P., Photoelectron spectroscopy of phosphites and phosphates, J. Electron Spectrosc. Relat. Phenom., 1981, 24, 27. [all data]

Daamen, Boxhoorn, et al., 1978
Daamen, H.; Boxhoorn, G.; Oskam, A., U. V. photoelectron (He I and He II) studies of M(CO)5PX3 (M=Cr, Mo, W and X=F, Cl, Br), Inorg. Chim. Acta, 1978, 28, 263. [all data]

Nicholson and Rademacher, 1974
Nicholson, D.G.; Rademacher, P., Photoelectron spectra and electronic structures of antimony(III) halides, Acta Chem. Scand. Ser. A:, 1974, 28, 1136. [all data]

Berkosky, Ellison, et al., 1973
Berkosky, J.L.; Ellison, F.O.; Lee, T.H.; Rabalais, J.W., Model for calculating spin-orbit interactions with applications to photoelectron spectroscopy, J. Chem. Phys., 1973, 59, 5342. [all data]

Cox, Evans, et al., 1972
Cox, P.A.; Evans, S.; Orchard, A.F.; Richardson, N.V.; Roberts, P.J., Simple quantitative molecular orbital methods used in connection with photoelectron spectroscopy, Faraday Discuss. Chem. Soc., 1972, 54, 26. [all data]

Betteridge, Thompson, et al., 1972
Betteridge, D.; Thompson, M.; Baker, A.D.; Kemp, N.R., Photoelectron spectra of phosphorus halides, alkyl phosphites and phosphates, organophosphorus pesticides, and related compounds, Anal. Chem., 1972, 44, 2005. [all data]

Halmann and Klein, 1964, 2
Halmann, M.; Klein, Y., Electron-impact spectroscopy of phosphorus compounds. Part III. Positive- andnegative-ion formation from phosphorus trichloride and phosphoryl chloride, J. Chem. Soc., 1964, 4324. [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]

Sandoval, Moser, et al., 1963
Sandoval, A.A.; Moser, H.C.; Kiser, R.W., Ionization and dissociation processes in phosphorus trichloride and diphosphorus tetrachloride, J. Phys. Chem., 1963, 67, 124. [all data]

Shimanouchi, 1972
Shimanouchi, T., Tables of Molecular Vibrational Frequencies Consolidated Volume I, National Bureau of Standards, 1972, 1-160. [all data]


Notes

Go To: Top, Gas phase thermochemistry data, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, Ion clustering data, Mass spectrum (electron ionization), Vibrational and/or electronic energy levels, NIST Free Links, References