Phosphorus mononitride
- Formula: NP
- Molecular weight: 44.9805
- IUPAC Standard InChI: InChI=1S/NP/c1-2
- IUPAC Standard InChIKey: AOPJVJYWEDDOBI-UHFFFAOYSA-N
- CAS Registry Number: 17739-47-8
- Chemical structure:
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Gas phase thermochemistry data
Go To: Top, Gas phase ion energetics data, 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.
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔfH°gas | 104.78 | kJ/mol | Review | Chase, 1998 | Data last reviewed in September, 1962 |
| Quantity | Value | Units | Method | Reference | Comment |
| S°gas,1 bar | 211.14 | J/mol*K | Review | Chase, 1998 | Data last reviewed in September, 1962 |
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 1200. | 1200. to 6000. |
|---|---|---|
| A | 19.66597 | 37.01497 |
| B | 34.58448 | 0.412466 |
| C | -26.14573 | -0.042535 |
| D | 7.220120 | 0.002887 |
| E | 0.165766 | -1.953703 |
| F | 98.15246 | 88.87736 |
| G | 226.6556 | 249.1262 |
| H | 104.7803 | 104.7803 |
| Reference | Chase, 1998 | Chase, 1998 |
| Comment | Data last reviewed in September, 1962 | Data last reviewed in September, 1962 |
Gas phase ion energetics data
Go To: Top, Gas phase thermochemistry data, 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 evaluated as indicated in comments:
HL - Edward P. Hunter and Sharon G. Lias
L - Sharon G. Lias
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
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| IE (evaluated) | 11.88 ± 0.01 | eV | N/A | N/A | L |
| Quantity | Value | Units | Method | Reference | Comment |
| Proton affinity (review) | 789.4 | kJ/mol | N/A | Hunter and Lias, 1998 | HL |
| Quantity | Value | Units | Method | Reference | Comment |
| Gas basicity | 757.0 | kJ/mol | N/A | Hunter and Lias, 1998 | HL |
Ionization energy determinations
| IE (eV) | Method | Reference | Comment |
|---|---|---|---|
| 11.88 ± 0.01 | PE | Bulgin, Dyke, et al., 1977 | LLK |
| 11.85 | PE | Wu and Fehlner, 1975 | LLK |
| 11.8 ± 0.1 | EI | Carlson, Kohl, et al., 1968 | RDSH |
Appearance energy determinations
| Ion | AE (eV) | Other Products | Method | Reference | Comment |
|---|---|---|---|---|---|
| N+ | 20.0 ± 0.5 | P | EI | Carlson, Kohl, et al., 1968 | RDSH |
Constants of diatomic molecules
Go To: Top, Gas phase thermochemistry data, 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: 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 |
|---|---|---|---|---|---|---|---|---|---|---|---|---|
| A 1Π | 39805.66 | 1103.09 Z | 7.222 | 0.73071 1 | 0.00663 | 1.29E-6 | 1.5467 | A ↔ X 2 3 R | 39688.52 Z | |||
| ↳missing citation; Moureu, Rosen, et al., 1939 | ||||||||||||
| X 1Σ+ | 0 | 1337.24 Z | 6.983 | 0.7864854 1 | 0.0055364 4 | 1.091E-6 | 1.490866 5 | |||||
| ↳Hoeft, Tiemann, et al., 1972; Wyse, Manson, et al., 1972 | ||||||||||||
| Mol. beam rf el. reson. 6 | ||||||||||||
| ↳Raymonda and Klemperer, 1971 | ||||||||||||
Notes
| 1 | Potentia1 functions Singh and Rai, 1966. |
| 2 | Lifetime τ(v=0) = 0.23 μs [Hanle effect measurement Moeller, McKeever, et al., 1975]. |
| 3 | Relative transition probabilities from the fluorescence spectrum, Franck-Condon factors Moeller and Silvers, 1973; see also Smith, 1968. |
| 4 | αv= -6.40E-6(v+1/2)2 - 2.5E-7(v+1/2)3 Wyse, Manson, et al., 1972. |
| 5 | Microwave sp. |
| 6 | μel[D] = 2.7514 - 0.0086(v+1/2) Wyse, Manson, et al., 1972, as corrected by Wyse, Manson, et al., 1972 for improved Bv values; (eqQ)N[kHz]= -5172.8 + 60.7(v+1/2) Raymonda and Klemperer, 1971 give also magnetic hf coupling constants. |
| 7 | Latest thermochemical value (mass-spectrometry) Gingerich, 1969. Previous thermochemical value 7.57 eV Uy, Kohl, et al., 1968. The origin of the discrepancy is not clear. From ab initio calculations a value of 6.43 eV is obtained; see Gingerich, 1969. |
| 8 | From the photoelectron spectrum Wu and Fehlner, 1975. |
| 9 | From D00(PN), I.P.(PN) and I.P.(P). |
References
Go To: Top, Gas phase thermochemistry data, Gas phase ion energetics 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.
Chase, 1998
Chase, M.W., Jr.,
NIST-JANAF Themochemical Tables, Fourth Edition,
J. Phys. Chem. Ref. Data, Monograph 9, 1998, 1-1951. [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]
Bulgin, Dyke, et al., 1977
Bulgin, D.K.; Dyke, J.M.; Morris, A.,
Vacuum ultraviolet photoelectron spectrum of the PN(X(1)3S+) molecule,
J. Chem. Soc. Faraday Trans. 2, 1977, 73, 983. [all data]
Wu and Fehlner, 1975
Wu, M.; Fehlner, T.P.,
Photoelectron spectroscopy of unstable species. The PN molecule,
Chem. Phys. Lett., 1975, 36, 114. [all data]
Carlson, Kohl, et al., 1968
Carlson, K.D.; Kohl, F.J.; Uy, O.M.,
Mass spectrometry of molecules of the nitrogen family,
Advan. Chem. Ser., 1968, 72, 245. [all data]
Moureu, Rosen, et al., 1939
Moureu, H.; Rosen, B.; Wetroff, G.,
L'equilibre entre le paranitrure de phosphore (PN) et les molecules biatomiques PN, deduit du spectre de bandes,
Compt. Rend., 1939, 209, 207. [all data]
Hoeft, Tiemann, et al., 1972
Hoeft, J.; Tiemann, E.; Torring, T.,
Rotationsspektrum des PN,
Z. Naturforsch. A, 1972, 27, 703. [all data]
Wyse, Manson, et al., 1972
Wyse, F.C.; Manson, E.L.; Gordy, W.,
Millimeter wave rotational spectrum and molecular constants of 31P14N,
J. Chem. Phys., 1972, 57, 1106. [all data]
Raymonda and Klemperer, 1971
Raymonda, J.; Klemperer, W.,
Molecular beam electric resonance spectrum of 31P14N,
J. Chem. Phys., 1971, 55, 232. [all data]
Singh and Rai, 1966
Singh, R.B.; Rai, D.K.,
Potential curves for some diatomic molecules: P2, PN, SiN, NBr, BaO, BeF, SiF & SnF,
Indian J. Pure Appl. Phys., 1966, 4, 102. [all data]
Moeller, McKeever, et al., 1975
Moeller, M.B.; McKeever, M.R.; Silvers, S.J.,
Hanle effect measurement of the lifetime of the A1Π state of PN,
Chem. Phys. Lett., 1975, 31, 398. [all data]
Moeller and Silvers, 1973
Moeller, M.B.; Silvers, S.J.,
Fluorescence spectra of PN and BF,
Chem. Phys. Lett., 1973, 19, 78. [all data]
Smith, 1968
Smith, W.L.,
Cancellation effects in Franck-Condon integrals,
J. Phys. B:, 1968, 1, 89. [all data]
Gingerich, 1969
Gingerich, K.A.,
Gaseous phosphorus compounds. III. Mass spectrometric study of the reaction betweeii diatomic nitrogen and phosphorus vapor and dissociation energy of phosphorus mononitride and diatomic phosphorus,
J. Phys. Chem., 1969, 73, 2734. [all data]
Uy, Kohl, et al., 1968
Uy, O.M.; Kohl, F.J.; Carlson, K.D.,
Dissociation energy of PN and other thermodynamic properties for the vaporization of P3N5,
J. Phys. Chem., 1968, 72, 1611. [all data]
Notes
Go To: Top, Gas phase thermochemistry data, Gas phase ion energetics data, Constants of diatomic molecules, References
- Symbols used in this document:
AE Appearance energy IE (evaluated) Recommended ionization energy S°gas,1 bar Entropy of gas at standard conditions (1 bar) ΔfH°gas Enthalpy of formation of gas at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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