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Phosphinidene


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, 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.

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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