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Phosphinidene


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
Deltafgas253.55kJ/molReviewChase, 1998Data last reviewed in June, 1967
Quantity Value Units Method Reference Comment
gas,1 bar196.35J/mol*KReviewChase, 1998Data last reviewed in June, 1967

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. - 1200.1200. - 6000.
A 28.3219628.54350
B -2.9531726.165836
C 13.45662-0.924145
D -5.7609500.055819
E 0.061045-0.614789
F 245.3351243.2084
G 231.2974227.0828
H 253.5504253.5504
ReferenceChase, 1998Chase, 1998
Comment Data last reviewed in June, 1967 Data last reviewed in June, 1967

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

(CAS Reg. No. 13937-34-3 bullet 4294967295Phosphinidene) + Phosphinidene = CAS Reg. No. 13937-34-3

By formula: (CAS Reg. No. 13937-34-3 bullet 4294967295HP) + HP = CAS Reg. No. 13937-34-3

Quantity Value Units Method Reference Comment
Deltar384. ± 34.kJ/molN/AErvin and Lineberger, 2005gas phase; High level calcns( Curtiss, Raghavachari, et al., 1991, Ricca and Bauschlicher, 1998) give DH ca. 84
Deltar354. ± 12.kJ/molTherBartmess, Scott, et al., 1979gas phase; The D-EA cycle does not close by 7 kcal/mol. The reason for this discrepancy is not known; value altered from reference due to change in acidity scale

P- + Hydrogen cation = Phosphinidene

By formula: P- + H+ = HP

Quantity Value Units Method Reference Comment
Deltar1538. ± 33.kJ/molD-EAAndersson, Lindahl, et al., 2007gas phase
Quantity Value Units Method Reference Comment
Deltar1515. ± 34.kJ/molH-TSAndersson, Lindahl, et al., 2007gas 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:
HL - Edward P. Hunter and Sharon G. Lias

Data compiled as indicated in comments:
B - John E. Bartmess
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

View reactions leading to HP+ (ion structure unspecified)

Quantity Value Units Method Reference Comment
Proton affinity (review)670.3kJ/molN/AHunter and Lias, 1998HL
Quantity Value Units Method Reference Comment
Gas basicity639.6kJ/molN/AHunter and Lias, 1998HL

Electron affinity determinations

EA (eV) Method Reference Comment
1.0270 ± 0.0060LPESErvin and Lineberger, 2005B
1.028 ± 0.010LPESZittel and Lineberger, 1976B
1.00 ± 0.060PDRackwitz, Feldman, et al., 1977B
>0.50 ± 0.20EIAEHalmann and Platzner, 1969From PH3; B
<1.09997IMRBEbinghaus, Kraus, et al., 1964B

Ionization energy determinations

IE (eV) Method Reference Comment
10.149 ± 0.008PIBerkowitz and Cho, 1988LL
10.2 ± 0.1DERBerkowitz, Curtiss, et al., 1986LBLHLM

De-protonation reactions

P- + Hydrogen cation = Phosphinidene

By formula: P- + H+ = HP

Quantity Value Units Method Reference Comment
Deltar1538. ± 33.kJ/molD-EAAndersson, Lindahl, et al., 2007gas phase; B
Quantity Value Units Method Reference Comment
Deltar1515. ± 34.kJ/molH-TSAndersson, Lindahl, et al., 2007gas phase; B

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 31PH
StateTeomegaeomegaexeomegaeyeBealphaegammaeDebetaereTrans.nu00
d 1Pi     [8.478] 1   [4.17E-4]  [1.4273] d larrow a 62725.28 Z
missing citation
B 3Pi0     [7.3]     [1.54] B larrow X R 69587.8 Z
Balfour and Douglas, 1968
c 1Phi     [8.602] 0.21  [5.44E-4]  [1.4170] c larrow a 2 61548.68 Z
missing citation
A 3Pii,0+ 29498 3 [1833.78] Z (98.5) 4  [8.0222] 5 6  [5.683E-4] 7  [1.46728] A lrarrow X 8 R 29434.61 9
missing citation; missing citation; missing citation; Horani, Rostas, et al., 1967; Rostas, Cossart, et al., 1974
StateTeomegaeomegaexeomegaeyeBealphaegammaeDebetaereTrans.nu00
A 3Pii,0- 29498 3 [1833.39] Z (98.5) 4  [8.0222] 5 6  [5.683E-4] 7  [1.46728] A lrarrow X 8 R 29434.28 9
missing citation; missing citation; missing citation; Horani, Rostas, et al., 1967; Rostas, Cossart, et al., 1974
A 3Pii,1 29498 3 [1833.74] Z (98.5) 4  [8.0222] 5 6  [5.683E-4] 7  [1.46728] A lrarrow X 8 R 29316.81 9
missing citation; missing citation; missing citation; Horani, Rostas, et al., 1967; Rostas, Cossart, et al., 1974
A 3Pii,2 29498 3 [1834.38] Z (98.5) 4  [8.0222] 5 6  [5.683E-4] 7  [1.46728] A lrarrow X 8 R 29203.21 9
missing citation; missing citation; missing citation; Horani, Rostas, et al., 1967; Rostas, Cossart, et al., 1974
b 1Sigma+ (15160) 10           
StateTeomegaeomegaexeomegaeyeBealphaegammaeDebetaereTrans.nu00
a 1Delta (7660) 10    [8.443] 0.12  [4.18E-4]  [1.4302] 11  
Davies, Russell, et al., 1975
X 3Sigma- 0 2365.2 12 44.5 12  8.5371 13 0.2514  4.36E-4  1.42234 11  
Davies, Russell, et al., 1975

Notes

1Lambda-type doubling |Deltav| = 0.1275J(J+l) - 0.54E-4J2(J+1)2.
2Sequence of nearly undegraded bands; the origins of the 1-1 and 2-2 bands are at 61554.5 and 61560.7 cm-1, respectively.
3A0 = -115.71, A1 = -115.20; see Rostas, Cossart, et al., 1974 who give also centrifugal distortion corrections AD as well as estimated spin-spin and second-order spin-orbit parameters.
4Estimated using isotope relations.
5For Lambda-doubling constants see Rostas, Cossart, et al., 1974.
6B1 = 7.5492. No emission has been observed from v=1 of PH, probably owing to weak predissociation by the repulsive 5Sigma- state arising from ground state atoms Rostas, Cossart, et al., 1974.
7D1 = 6.54E-4, H0 = -1.6E-8.
8Lifetime tau= 0.45 mus, corresponding to an absorption oscillator strength of 0.0078 Fink and Welge, 1964.
9Subband origins as defined by Rostas, Cossart, et al., 1974.
10Theoretical predictions Jordan, 1964, Cade, 1968, Liu, Legentil, et al., 1972, for a 1Delta confirmed by laser photoelectron spectrometry of PH-[see ref. Ishaque and Pearse, 1939 of PH-).
11Rotation sp. 15
12Constants deduced from isotope relations Rostas, Cossart, et al., 1974.
13Spin splitting constants lambda0 = +2.212, gamma0 = -0.0738; lambda1 = +2.207, gamma1 = -0.0726 Rostas, Cossart, et al., 1974.
14Adjusted theoretical value recommended by Meyer and Rosmus, 1975; see also Jordan, 1964, Cade and Huo, 1967, Liu, Legentil, et al., 1972.
15N=4rarrow5 rotational transitions observed by the laser magnetic resonance method.
16From the value for PH.
17A0= -115.74, A1= -115.55; see also 3.
18B1= 4.0047.
19D1= 1.640E-4.
20Spin splitting constants lambda0= +2.211, gamma0= -0.0385; lambda1= +2.202, gamma1= 0.0381 Rostas, Cossart, et al., 1974.

References

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

Ervin and Lineberger, 2005
Ervin, K.M.; Lineberger, W.C., Photoelectron spectroscopy of phosphorus hydride anions, J. Chem. Phys., 2005, 122, 19, 194303, https://doi.org/10.1063/1.1881153 . [all data]

Curtiss, Raghavachari, et al., 1991
Curtiss, L.A.; Raghavachari, K.; Trucks, G.W.; Pople, J.A., Gaussian-2 Theory for Molecular Energies of First- and Second-row Compounds, J. Chem. Phys., 1991, 94, 11, 7221, https://doi.org/10.1063/1.460205 . [all data]

Ricca and Bauschlicher, 1998
Ricca, A.; Bauschlicher, C.W., Jr., Accurate Heats of Formation for PHn, PHn+, and PHn-, Chem. Phys. Lett., 1998, 285, 5-6, 455, https://doi.org/10.1016/S0009-2614(97)01468-1 . [all data]

Bartmess, Scott, et al., 1979
Bartmess, J.E.; Scott, J.A.; McIver, R.T., Jr., The gas phase acidity scale from methanol to phenol, J. Am. Chem. Soc., 1979, 101, 6047. [all data]

Andersson, Lindahl, et al., 2007
Andersson, P.; Lindahl, A.O.; Alfredsson, C.; Rogstrom, L.; Diehl, C.; Pegg, D.J.; Hanstorp, D., The electron affinity of phosphorus, J. Phys. B - Atom. Mol. Opt. Phys., 2007, 40, 20, 4097-4107, https://doi.org/10.1088/0953-4075/40/20/010 . [all data]

Hunter and Lias, 1998
Hunter, E.P.; Lias, S.G., Evaluated Gas Phase Basicities and Proton Affinities of Molecules: An Update, J. Phys. Chem. Ref. Data, 1998, 27, 3, 413-656, https://doi.org/10.1063/1.556018 . [all data]

Zittel and Lineberger, 1976
Zittel, P.F.; Lineberger, W.C., Laser photoelectron spectrometry of PO-, PH-, and PH2-, J. Chem. Phys., 1976, 65, 1236. [all data]

Rackwitz, Feldman, et al., 1977
Rackwitz, R.; Feldman, D.; Kaiser, H.J.; Heincke, E., Photodetachment bei einigen zweiatomigen negativen hydridionen: BeH-, MgH-, CaH-, ZnH-, PH-, AsH-, Z. Naturforsch. A:, 1977, 32, 594. [all data]

Halmann and Platzner, 1969
Halmann, M.; Platzner, I., Negative Ions Produced by Electron Capture in Phosphine, J. Phys. Chem., 1969, 73, 12, 4376, https://doi.org/10.1021/j100846a062 . [all data]

Ebinghaus, Kraus, et al., 1964
Ebinghaus, H.; Kraus, K.; Neuert, H.; Muller-Duysing, W., Negative Ionen durch Elecktronenresonanzeinfang in PH3, AsH3, und SiH4, Z. Naturfor., 1964, 19A, 732. [all data]

Berkowitz and Cho, 1988
Berkowitz, J.; Cho, H., A photoionization study of PH: PH2 revisited, J. Chem. Phys., 1988, 90, 1. [all data]

Berkowitz, Curtiss, et al., 1986
Berkowitz, J.; Curtiss, L.; Gibson, S.; Greene, J.; Hillhouse, G.; Pople, J., Photoionization mass spectrometric study and Ab initio calculation of ionization and bonding in P-H compounds. Heats of formation, bond energies, and the 3B1-1A1 separation in PH2+, J. Chem. Phys., 1986, 84, 375. [all data]

Balfour and Douglas, 1968
Balfour, W.J.; Douglas, A.E., The absorption spectrum of PH in the vacuum ultraviolet, Can. J. Phys., 1968, 46, 2277. [all data]

Horani, Rostas, et al., 1967
Horani, M.; Rostas, J.; Lefebvre-Brion, H., Find structure of 3«SIGMA»- and 3«PI» states of NH, OH+, PH, and SH+, Can. J. Phys., 1967, 45, 3319. [all data]

Rostas, Cossart, et al., 1974
Rostas, J.; Cossart, D.; Bastien, J.R., Rotational analysis of the PH and PD A3«PI»i-X3«SIGMA»- band systems, Can. J. Phys., 1974, 52, 1274. [all data]

Davies, Russell, et al., 1975
Davies, P.B.; Russell, D.K.; Thrush, B.A., Laser magnetic resonance spectra of the PH radical, Chem. Phys. Lett., 1975, 36, 280. [all data]

Fink and Welge, 1964
Fink, E.; Welge, K.H., Lebensdauer der Elektronenzustande N2(C3«PI»u), N2+(B2«SIGMA»u+), NH(A3«PI»), NH(c1«PI»), PH(3«PI»), Z. Naturforsch. A, 1964, 19, 1193. [all data]

Jordan, 1964
Jordan, P.C., Lower electronic levels of the radicals PH and PH2, J. Chem. Phys., 1964, 41, 1442. [all data]

Cade, 1968
Cade, P.E., Theoretical prediction of the singlet-triplet intercombination separations for NH, OH+, PH, and SH+, Can. J. Phys., 1968, 46, 1989. [all data]

Liu, Legentil, et al., 1972
Liu, H.P.D.; Legentil, J.; Verhaegen, G., Calculated energy levels of some diatomic hydrides in Selected Topics in Molecular Physics [Proceedings of the national symposium at Ludwigsburg (Germany)], Clementi; Chemie GmbH, ed(s)., Weinheim, Bergstr., 1972, 19-33. [all data]

Ishaque and Pearse, 1939
Ishaque, M.; Pearse, R.W.B., The «lambda»3400 bands of PH and PD, Proc. R. Soc. London A, 1939, 173, 265. [all data]

Meyer and Rosmus, 1975
Meyer, W.; Rosmus, P., PNO-Cl and CEPA studies of electron correlation effects. III. Spectroscopic constants and dipole moment functions for the ground states of the first-row and second-row diatomic hydrides, J. Chem. Phys., 1975, 63, 2356. [all data]

Cade and Huo, 1967
Cade, P.E.; Huo, W.M., Electronic structure of diatomic molecules. VII.A. Hartree-Fock wavefunctions and energy quantities for the ground states of the second-row hydrides, AH, J. Chem. Phys., 1967, 47, 649. [all data]


Notes

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