Phosphorus tribromide (2024)

  • Formula: Br3P
  • Molecular weight: 270.686
  • IUPAC Standard InChI:InChI=1S/Br3P/c1-4(2)3

    Phosphorus tribromide (1)

  • IUPAC Standard InChIKey:IPNPIHIZVLFAFP-UHFFFAOYSA-N
  • CAS Registry Number: 7789-60-8
  • Chemical structure: Phosphorus tribromide (2)
    This structure is also available as a 2d Mol file
  • Other names:PBr3;Phosphorus(III) bromide;Phosphorous tribromide;Extrema;Phosphorous bromide;Phosphorus bromide;Tribromophosphine;UN 1808;Phosphorus bromide (PBr3)
  • Permanent link for this species. Use this link for bookmarking this speciesfor future reference.
  • Information on this page:
    • Gas phase thermochemistry data
    • Gas phase ion energetics data
    • Ion clustering data
    • References
    • Notes
  • Other data available:
    • Phase change data
    • Reaction thermochemistry data
    • Mass spectrum (electron ionization)
  • Data at other public NIST sites:
    • Gas Phase Kinetics Database
  • Options:
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Data at NIST subscription sites:

  • NIST / TRC Web Thermo Tables, professional edition (thermophysical and thermochemical data)

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Gas phase thermochemistry data

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Data compilation copyrightby the U.S. Secretary of Commerce on behalf of the U.S.A.All rights reserved.

QuantityValueUnitsMethodReferenceComment
Δfgas-146.02kJ/molReviewChase, 1998Data last reviewed in December, 1963
QuantityValueUnitsMethodReferenceComment
gas,1 bar348.22J/mol*KReviewChase, 1998Data last reviewed in December, 1963

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. to 6000.
A82.68086
B0.396137
C-0.107517
D0.009187
E-0.607864
F-172.7285
G444.7425
H-146.0220
ReferenceChase, 1998
CommentData last reviewed in December, 1963

Gas phase ion energetics data

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Data compilation copyrightby 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
B - John E. Bartmess

Electron affinity determinations

EA (eV)MethodReferenceComment
1.59 ± 0.15NBIEMathur, Rothe, et al., 1976B

Ionization energy determinations

IE (eV)MethodReferenceComment
10.1 ± 0.1EIVarmuza and Krenmayr, 1971LLK
9.85EIMuller and Fenderl, 1969RDSH
10.0 ± 0.2EIKiser, Dillard, et al., 1969RDSH
9.99PEDaamen, Boxhoorn, et al., 1978Vertical value; LLK
10.00PENicholson and Rademacher, 1974Vertical value; LLK
9.96PEBerkosky, Ellison, et al., 1973Vertical value; LLK
10.00 ± 0.03PECox, Evans, et al., 1972Vertical value; LLK
10.0PEBetteridge, Thompson, et al., 1972Vertical value; LLK

Appearance energy determinations

IonAE (eV)Other ProductsMethodReferenceComment
Br+17.1 ± 0.5?EIKiser, Dillard, et al., 1969RDSH
PBr+14.2 ± 0.2?EIVarmuza and Krenmayr, 1971LLK
PBr+15.6 ± 0.3?EIKiser, Dillard, et al., 1969RDSH
PBr2+11.2 ± 0.1BrEIVarmuza and Krenmayr, 1971LLK
PBr2+11.4 ± 0.2BrEIKiser, Dillard, et al., 1969RDSH
P+16.7 ± 0.7Br2+BrEIVarmuza and Krenmayr, 1971LLK
P+20.1 ± 0.5?EIKiser, Dillard, et al., 1969RDSH

Ion clustering data

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Data compilation copyrightby 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 thereaction search for this species. This page allows searchingof all reactions involving this species. Searches may be limitedto ion clustering reactions. A general reaction search form isalso available.

Clustering reactions

+Phosphorus tribromide (4) = Br4P-

By formula: Br-+Br3P = Br4P-

QuantityValueUnitsMethodReferenceComment
Δr64.9 ± 5.9kJ/molCIDTHeil, Check, et al., 2002gas phase

References

Go To: Top, Gas phase thermochemistry data, Gas phase ion energetics data, Ion clustering data, Notes

Data compilation copyrightby 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]

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]

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

Muller and Fenderl, 1969
Muller, J.; Fenderl, K.,Massenspektren und Ionisierungspotentiale von C5H5Mn(CO)2PX3-Komplexen,J. Organometal. Chem., 1969, 19, 123. [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]

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]

Heil, Check, et al., 2002
Heil, T.E.; Check, C.E.; Lobring, K.C.; Sunderlin, L.S.,The thermochemistry of phosphorus tetrahalide anions,J. Phys. Chem. A, 2002, 106, 42, 10043-10048, https://doi.org/10.1021/jp021386y. [all data]

Notes

Go To: Top, Gas phase thermochemistry data, Gas phase ion energetics data, Ion clustering data, References

  • Symbols used in this document:
    AEAppearance energy
    EAElectron affinity
    gas,1 barEntropy of gas at standard conditions (1 bar)
    ΔfgasEnthalpy of formation of gas at standard conditions
    ΔrEnthalpy of reaction at standard conditions
  • Data from NIST Standard Reference Database 69:NIST Chemistry WebBook
  • The National Institute of Standards and Technology (NIST)uses its best efforts to deliver a high quality copy of theDatabase and to verify that the data contained therein havebeen selected on the basis of sound scientific judgment.However, NIST makes no warranties to that effect, and NISTshall not be liable for any damage that may result fromerrors or omissions in the Database.
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Phosphorus tribromide (2024)
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