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NP+


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 31P14N+
StateTeomegaeomegaexeomegaeyeBealphaegammaeDebetaereTrans.nu00
In the photoelectron spectrum there are indications of two additional peaks at 3.95 and 4.85 eV (31900 and 39100 cm-1, resp.) above the X 2Sigma+ Wu and Fehlner, 1975; uncertain.
A 2Pi (4030) (1050) 1          
X 2Sigma+ 0 [(1200)] 1          

Notes

1From the photoelectron spectrum Wu and Fehlner, 1975.
2Latest 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.
3Potentia1 functions Singh and Rai, 1966.
4Lifetime tau(v=0) = 0.23 mus [Hanle effect measurement Moeller, McKeever, et al., 1975].
5Relative transition probabilities from the fluorescence spectrum, Franck-Condon factors Moeller and Silvers, 1973; see also Smith, 1968.
6alphav= -6.40E-6(v+1/2)2 - 2.5E-7(v+1/2)3 Wyse, Manson, et al., 1972.
7muel[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.
8From D00(PN), I.P.(PN) and I.P.(P).

References

Go To: Top, 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.

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]

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]

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]

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]


Notes

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