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Phosphorus fluoride cation


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
gas,1 bar224.04J/mol*KReviewChase, 1998Data last reviewed in June, 1977

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 31P19F+
StateTeomegaeomegaexeomegaeyeBealphaegammaeDebetaereTrans.nu00
A 2Sigma 35434.64 619.00 Z 4.62  0.5593 1 0.0079  1.6E-6  1.5999 A rarrow X R 35217.62 Z
Douglas and Frackowiak, 1962
X 2Pir 0 2 1053.25 Z 5.05  0.6360 0.0048  0.6E-6  1.5003  

Notes

1Spin-splitting constant gamma = 0.0073.
2A = +323.95.
3DeltaG(3/2) = 416.57, DeltaG(5/2)= 418.96, DeltaG(7/2)= 420.98.
4A0 = +143.06, A1 = +142.87; see Kovacs, 1964 who also accounts for spin-rotation interaction and for the combined effects of spin-spin interaction and perturbations by 1Pi states.
5DeltaG(3/2) = 437.37.
6Lambda-type doubling independent of J Douglas and Frackowiak, 1962 (v=0) ~0.07 cm-1, (v=1) ~0.16 cm-1, (v=2) ~0.25 cm-1.
7Notice that Table VIII of Douglas and Frackowiak, 1962 contains a number of misprints leading to disagreement with constants in Table XI.
8Spin-splitting constants lambda0 = +2.9623, gamma0 = +0.0018.

References

Go To: Top, Gas phase 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.

Chase, 1998
Chase, M.W., Jr., NIST-JANAF Themochemical Tables, Fourth Edition, J. Phys. Chem. Ref. Data, Monograph 9, 1998, 1-1951. [all data]

Douglas and Frackowiak, 1962
Douglas, A.E.; Frackowiak, M., The electronic spectra of PF and PF+, Can. J. Phys., 1962, 40, 832. [all data]

Kovacs, 1964
Kovacs, I., Rotational fine structure of the 3«PI» state of PF, Can. J. Phys., 1964, 42, 2180. [all data]


Notes

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