Phosphinidene
- Formula: HP
- Molecular weight: 31.98170
- IUPAC Standard InChIKey: BHEPBYXIRTUNPN-UHFFFAOYSA-N
- CAS Registry Number: 13967-14-1
- Chemical structure:
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Reaction thermochemistry data
Go To: Top, Constants of diatomic molecules, 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: 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 • 4294967295) + = CAS Reg. No. 13937-34-3
By formula: (CAS Reg. No. 13937-34-3 • 4294967295HP) + HP = CAS Reg. No. 13937-34-3
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 91.7 ± 8.1 | kcal/mol | N/A | Ervin and Lineberger, 2005 | gas phase; High level calcns( Curtiss, Raghavachari, et al., 1991, Ricca and Bauschlicher, 1998) give DH ca. 84 |
ΔrH° | 84.7 ± 2.9 | kcal/mol | Ther | Bartmess, Scott, et al., 1979 | gas 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- + =
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 367.7 ± 8.0 | kcal/mol | D-EA | Andersson, Lindahl, et al., 2007 | gas phase |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 362.0 ± 8.1 | kcal/mol | H-TS | Andersson, Lindahl, et al., 2007 | gas phase |
Constants of diatomic molecules
Go To: Top, Reaction thermochemistry 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: Klaus P. Huber and Gerhard H. Herzberg
Data collected through July, 1977
Symbol | Meaning |
---|---|
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) |
State | Te | ωe | ωexe | ωeye | Be | αe | γe | De | βe | re | Trans. | ν00 |
---|---|---|---|---|---|---|---|---|---|---|---|---|
d 1Π | [8.478] 1 | [4.17E-4] | [1.4273] | d ← a | 62725.28 Z | |||||||
↳missing citation | ||||||||||||
B 3Π0 | [7.3] | [1.54] | B ← X R | 69587.8 Z | ||||||||
↳Balfour and Douglas, 1968 | ||||||||||||
c 1Φ | [8.602] | 0.21 | [5.44E-4] | [1.4170] | c ← a 2 | 61548.68 Z | ||||||
↳missing citation | ||||||||||||
A 3Πi,0+ | 29498 3 | [1833.78] Z | (98.5) 4 | [8.0222] 5 | 6 | [5.683E-4] 7 | [1.46728] | A ↔ X 8 R | 29434.61 9 | |||
↳missing citation; missing citation; missing citation; Horani, Rostas, et al., 1967; Rostas, Cossart, et al., 1974 | ||||||||||||
State | Te | ωe | ωexe | ωeye | Be | αe | γe | De | βe | re | Trans. | ν00 |
A 3Πi,0- | 29498 3 | [1833.39] Z | (98.5) 4 | [8.0222] 5 | 6 | [5.683E-4] 7 | [1.46728] | A ↔ X 8 R | 29434.28 9 | |||
↳missing citation; missing citation; missing citation; Horani, Rostas, et al., 1967; Rostas, Cossart, et al., 1974 | ||||||||||||
A 3Πi,1 | 29498 3 | [1833.74] Z | (98.5) 4 | [8.0222] 5 | 6 | [5.683E-4] 7 | [1.46728] | A ↔ X 8 R | 29316.81 9 | |||
↳missing citation; missing citation; missing citation; Horani, Rostas, et al., 1967; Rostas, Cossart, et al., 1974 | ||||||||||||
A 3Πi,2 | 29498 3 | [1834.38] Z | (98.5) 4 | [8.0222] 5 | 6 | [5.683E-4] 7 | [1.46728] | A ↔ X 8 R | 29203.21 9 | |||
↳missing citation; missing citation; missing citation; Horani, Rostas, et al., 1967; Rostas, Cossart, et al., 1974 | ||||||||||||
b 1Σ+ | (15160) 10 | |||||||||||
State | Te | ωe | ωexe | ωeye | Be | αe | γe | De | βe | re | Trans. | ν00 |
a 1Δ | (7660) 10 | [8.443] | 0.12 | [4.18E-4] | [1.4302] 11 | |||||||
↳Davies, Russell, et al., 1975 | ||||||||||||
X 3Σ- | 0 | 2365.2 12 | 44.5 12 | 8.5371 13 | 0.2514 | 4.36E-4 | 1.42234 11 | |||||
↳Davies, Russell, et al., 1975 |
Notes
1 | Λ-type doubling |Δv| = 0.1275J(J+l) - 0.54E-4J2(J+1)2. |
2 | Sequence of nearly undegraded bands; the origins of the 1-1 and 2-2 bands are at 61554.5 and 61560.7 cm-1, respectively. |
3 | A0 = -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. |
4 | Estimated using isotope relations. |
5 | For Λ-doubling constants see Rostas, Cossart, et al., 1974. |
6 | B1 = 7.5492. No emission has been observed from v=1 of PH, probably owing to weak predissociation by the repulsive 5Σ- state arising from ground state atoms Rostas, Cossart, et al., 1974. |
7 | D1 = 6.54E-4, H0 = -1.6E-8. |
8 | Lifetime τ= 0.45 μs, corresponding to an absorption oscillator strength of 0.0078 Fink and Welge, 1964. |
9 | Subband origins as defined by Rostas, Cossart, et al., 1974. |
10 | Theoretical predictions Jordan, 1964, Cade, 1968, Liu, Legentil, et al., 1972, for a 1Δ confirmed by laser photoelectron spectrometry of PH-[see ref. Ishaque and Pearse, 1939 of PH-). |
11 | Rotation sp. 15 |
12 | Constants deduced from isotope relations Rostas, Cossart, et al., 1974. |
13 | Spin splitting constants λ0 = +2.212, γ0 = -0.0738; λ1 = +2.207, γ1 = -0.0726 Rostas, Cossart, et al., 1974. |
14 | Adjusted theoretical value recommended by Meyer and Rosmus, 1975; see also Jordan, 1964, Cade and Huo, 1967, Liu, Legentil, et al., 1972. |
15 | N=4→5 rotational transitions observed by the laser magnetic resonance method. |
16 | From the value for PH. |
17 | A0= -115.74, A1= -115.55; see also 3. |
18 | B1= 4.0047. |
19 | D1= 1.640E-4. |
20 | Spin splitting constants λ0= +2.211, γ0= -0.0385; λ1= +2.202, γ1= 0.0381 Rostas, Cossart, et al., 1974. |
References
Go To: Top, Reaction thermochemistry data, Constants of diatomic molecules, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
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]
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 3Σ- and 3Π 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 A3Πi-X3Σ- 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(C3Πu), N2+(B2Σu+), NH(A3Π), NH(c1Π), PH(3Π),
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 λ3400 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
Go To: Top, Reaction thermochemistry data, Constants of diatomic molecules, References
- Symbols used in this document:
ΔrG° Free energy of reaction at standard conditions ΔrH° Enthalpy of reaction at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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