Phosphorus trichloride
- Formula: Cl3P
- Molecular weight: 137.333
- IUPAC Standard InChIKey: FAIAAWCVCHQXDN-UHFFFAOYSA-N
- CAS Registry Number: 7719-12-2
- Chemical structure:
This structure is also available as a 2d Mol file - Other names: PCl3; Phosphorus chloride; Phosphorus(III) chloride; Phosphorous trichloride; Chloride of phosphorus; Fosforo(tricloruro di); Fosfortrichloride; Phosphore(trichlorure de); Phosphorous chloride; Phosphortrichlorid; Trojchlorek fosforu; UN 1809; Phosphorus chloride (pcl3); Phosphine, trichloro-; Phosphorus chloride (cl6p2); Trichlorophosphine
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Gas phase ion energetics 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.
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 ± 0.01 | eV | N/A | N/A | L |
Electron affinity determinations
EA (eV) | Method | Reference | Comment |
---|---|---|---|
0.82 ± 0.10 | NBIE | Mathur, Rothe, et al., 1976 | B |
>3.61223 | IMRB | Halmann and Klein, 1964 | From PCl5; B |
Ionization energy determinations
IE (eV) | Method | Reference | Comment |
---|---|---|---|
9.90 ± 0.01 | PIPECO | Ruede, Troxler, et al., 1993 | LL |
9.9 ± 0.1 | EI | Ozgen, 1983 | LBLHLM |
10.5 ± 0.1 | EI | Varmuza and Krenmayr, 1971 | LLK |
10.18 ± 0.10 | PE | Lloyd, 1970 | RDSH |
9.91 | PI | Price and Passmore, 1963 | RDSH |
10.52 | PE | Chattorpadhyay, Findley, et al., 1981 | Vertical value; LLK |
10.54 | PE | Daamen, Boxhoorn, et al., 1978 | Vertical value; LLK |
10.52 | PE | Nicholson and Rademacher, 1974 | Vertical value; LLK |
10.51 | PE | Berkosky, Ellison, et al., 1973 | Vertical value; LLK |
10.52 ± 0.03 | PE | Cox, Evans, et al., 1972 | Vertical value; LLK |
10.5 | PE | Betteridge, Thompson, et al., 1972 | Vertical value; LLK |
Appearance energy determinations
Ion | AE (eV) | Other Products | Method | Reference | Comment |
---|---|---|---|---|---|
Cl+ | 15.7 ± 0.1 | ? | EI | Ozgen, 1983 | LBLHLM |
Cl+ | 19.8 ± 0.4 | ? | EI | Halmann and Klein, 1964, 2 | RDSH |
ClP+ | 16.0 ± 0.2 | 2Cl | PIPECO | Ruede, Troxler, et al., 1993 | LL |
ClP+ | 14.5 ± 0.1 | Cl2/2Cl | EI | Ozgen, 1983 | LBLHLM |
ClP+ | 16.0 ± 0.2 | Cl2/2Cl | EI | Varmuza and Krenmayr, 1971 | LLK |
PCl+ | 16.8 ± 0.3 | ? | EI | Kiser, Dillard, et al., 1969 | RDSH |
PCl+ | 16.5 ± 0.5 | ? | EI | Halmann and Klein, 1964, 2 | RDSH |
PCl+ | 16.8 ± 0.3 | ? | EI | Sandoval, Moser, et al., 1963 | RDSH |
Cl2P+ | 11.61 ± 0.01 | Cl | PIPECO | Ruede, Troxler, et al., 1993 | LL |
Cl2P+ | 11.1 ± 0.1 | Cl | EI | Ozgen, 1983 | LBLHLM |
Cl2P+ | 11.9 ± 0.1 | Cl | EI | Varmuza and Krenmayr, 1971 | LLK |
PCl2+ | 12.3 ± 0.2 | Cl | EI | Kiser, Dillard, et al., 1969 | RDSH |
PCl2+ | 11.8 ± 0.5 | Cl- | EI | Halmann and Klein, 1964, 2 | RDSH |
PCl2+ | 12.3 ± 0.2 | Cl | EI | Sandoval, Moser, et al., 1963 | RDSH |
P+ | 16.8 ± 0.1 | ? | EI | Ozgen, 1983 | LBLHLM |
P+ | 18.5 ± 0.7 | Cl2+Cl | EI | Varmuza and Krenmayr, 1971 | LLK |
P+ | 21.0 ± 0.5 | ? | EI | Halmann and Klein, 1964, 2 | RDSH |
P+ | 21.2 ± 0.5 | ? | EI | Sandoval, Moser, et al., 1963 | RDSH |
Vibrational and/or electronic energy levels
Go To: Top, Gas phase ion energetics 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: Takehiko Shimanouchi
Symmetry: C3ν Symmetry Number σ = 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
p | Polarized |
dp | Depolarized |
C | 3~6 cm-1 uncertainty |
References
Go To: Top, Gas phase ion energetics 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.
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 ion energetics data, Vibrational and/or electronic energy levels, References
- Symbols used in this document:
AE Appearance energy EA Electron affinity IE (evaluated) Recommended ionization energy - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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