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Phosphorus mononitride


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
Deltafgas25.043kcal/molReviewChase, 1998Data last reviewed in September, 1962
Quantity Value Units Method Reference Comment
gas,1 bar50.464cal/mol*KReviewChase, 1998Data 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 (cal/mol*K)
    H° = standard enthalpy (kcal/mol)
    S° = standard entropy (cal/mol*K)
    t = temperature (K) / 1000.

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Temperature (K) 298. - 1200.1200. - 6000.
A 4.7002808.846791
B 8.2658900.098582
C -6.248980-0.010166
D 1.7256510.000690
E 0.039619-0.466946
F 23.4590021.24220
G 54.1719959.54259
H 25.0430925.04309
ReferenceChase, 1998Chase, 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 ± 0.01eVN/AN/AL
Quantity Value Units Method Reference Comment
Proton affinity (review)188.7kcal/molN/AHunter and Lias, 1998HL
Quantity Value Units Method Reference Comment
Gas basicity180.9kcal/molN/AHunter and Lias, 1998HL

Ionization energy determinations

IE (eV) Method Reference Comment
11.88 ± 0.01PEBulgin, Dyke, et al., 1977LLK
11.85PEWu and Fehlner, 1975LLK
11.8 ± 0.1EICarlson, Kohl, et al., 1968RDSH

Appearance energy determinations

Ion AE (eV) Other Products MethodReferenceComment
N+20.0 ± 0.5PEICarlson, Kohl, et al., 1968RDSH

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

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 31P14N
StateTeomegaeomegaexeomegaeyeBealphaegammaeDebetaereTrans.nu00
A 1Pi 39805.66 1103.09 Z 7.222  0.73071 1 0.00663  1.29E-6  1.5467 A lrarrow X 2 3 R 39688.52 Z
missing citation; Moureu, Rosen, et al., 1939
X 1Sigma+ 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

1Potentia1 functions Singh and Rai, 1966.
2Lifetime tau(v=0) = 0.23 mus [Hanle effect measurement Moeller, McKeever, et al., 1975].
3Relative transition probabilities from the fluorescence spectrum, Franck-Condon factors Moeller and Silvers, 1973; see also Smith, 1968.
4alphav= -6.40E-6(v+1/2)2 - 2.5E-7(v+1/2)3 Wyse, Manson, et al., 1972.
5Microwave sp.
6muel[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.
7Latest 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.
8From the photoelectron spectrum Wu and Fehlner, 1975.
9From 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 A1«PI» 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

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