Phosphorus fluoride cation
- Formula: FP+
- Molecular weight: 49.971617
- CAS Registry Number: 11080-57-2
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Gas phase thermochemistry data
Go To: Top, 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 |
|---|---|---|---|---|---|
| S°gas,1 bar | 224.04 | J/mol*K | Review | Chase, 1998 | Data last reviewed in June, 1977 |
Constants of diatomic molecules
Go To: Top, Gas phase thermochemistry 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 2Σ | 35434.64 | 619.00 Z | 4.62 | 0.5593 1 | 0.0079 | 1.6E-6 | 1.5999 | A → X R | 35217.62 Z | |||
| ↳Douglas and Frackowiak, 1962 | ||||||||||||
| X 2Πr | 0 2 | 1053.25 Z | 5.05 | 0.6360 | 0.0048 | 0.6E-6 | 1.5003 | |||||
Notes
| 1 | Spin-splitting constant γ = 0.0073. |
| 2 | A = +323.95. |
| 3 | ΔG(3/2) = 416.57, ΔG(5/2)= 418.96, ΔG(7/2)= 420.98. |
| 4 | A0 = +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 1Π states. |
| 5 | ΔG(3/2) = 437.37. |
| 6 | Λ-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. |
| 7 | Notice that Table VIII of Douglas and Frackowiak, 1962 contains a number of misprints leading to disagreement with constants in Table XI. |
| 8 | Spin-splitting constants λ0 = +2.9623, γ0 = +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 3Π state of PF,
Can. J. Phys., 1964, 42, 2180. [all data]
Notes
Go To: Top, Gas phase thermochemistry data, Constants of diatomic molecules, References
- Symbols used in this document:
S°gas,1 bar Entropy of gas at standard conditions (1 bar) - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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