Phosphorus monofluoride

Formula: FP
Molecular weight: 49.972165
IUPAC Standard InChI: InChI=1S/FP/c1-2
IUPAC Standard InChIKey: QUQSORXWLOUIIW-UHFFFAOYSA-N
CAS Registry Number: 16027-92-2
Chemical structure:
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Gas phase thermochemistry data

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Quantity	Value	Units	Method	Reference	Comment
Δ_fH°_gas	-12.49	kcal/mol	Review	Chase, 1998	Data last reviewed in June, 1977
Quantity	Value	Units	Method	Reference	Comment
S°_{gas,1 bar}	53.767	cal/mol*K	Review	Chase, 1998	Data last reviewed in June, 1977

Gas Phase Heat Capacity (Shomate Equation)

C_p° = 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
C_p = heat capacity (cal/mol*K)
H° = standard enthalpy (kcal/mol)
S° = standard entropy (cal/mol*K)
t = temperature (K) / 1000.

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View table.

Temperature (K)	298. - 6000.
A	8.286270
B	0.629468
C	-0.071302
D	0.004802
E	-0.083533
F	-15.26490
G	63.14080
H	-12.48810
Reference	Chase, 1998
Comment	Data last reviewed in June, 1977

Gas phase ion energetics data

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Data compiled as indicated in comments:
LL - Sharon G. Lias and Joel F. Liebman
LBLHLM - Sharon G. Lias, John E. Bartmess, Joel F. Liebman, John L. Holmes, Rhoda D. Levin, and W. Gary Mallard
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi

View reactions leading to FP⁺ (ion structure unspecified)

Ionization energy determinations

IE (eV)	Method	Reference	Comment
9.60 ± 0.01	PE	Butcher, Dyke, et al., 1988	LL
≤11.4 ± 0.6	EI	Torgerson and Westmore, 1975	LLK
9.74 ± 0.01	PE	Dyke, Jonathan, et al., 1982	Vertical value; LBLHLM

Constants of diatomic molecules

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Data compiled by: Klaus P. Huber and Gerhard H. Herzberg

Data collected through July, 1977

Symbols used in the table of constants
Symbol	Meaning
State	electronic state and / or symmetry symbol
T_e	minimum electronic energy (cm^-1)
ω_e	vibrational constant – first term (cm^-1)
ω_ex_e	vibrational constant – second term (cm^-1)
ω_ey_e	vibrational constant – third term (cm^-1)
B_e	rotational constant in equilibrium position (cm^-1)
α_e	rotational constant – first term (cm^-1)
γ_e	rotation-vibration interaction constant (cm^-1)
D_e	centrifugal distortion constant (cm^-1)
β_e	rotational constant – first term, centrifugal force (cm^-1)
r_e	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
State	T_e	ω_e	ω_ex_e	ω_ey_e	B_e	α_e	γ_e	D_e	β_e	r_e	Trans.	ν₀₀
R shaded triple heads in the region 15600 - 17900 cm^-1,tentatively assigend by Skolnik and Goodfriend, 1974 to a triplet system of PF with ω" ~ 1135, probably belong to the D → B system of PO (0-0, 0-1, 0-2 bands). Several unassigned bands in teh region 16200 - 25500 cm^-1. Skolnik and Goodfriend, 1974
g ¹Π	[52063.6]				[0.6186]			[0.85E-6]		[1.521₃]	g → b V	38277.74 Z
	↳Douglas and Frackowiak, 1962
											g → a V	44544.80 Z
	↳Douglas and Frackowiak, 1962
d ¹Π	36024	[413.19] Z	1		0.4848	(0.0062)		[2.8E-6]		1.718	d → b R	22444.95 Z
	↳missing citation
											d → a R	28712.14 Z
	↳Douglas and Frackowiak, 1962
State	T_e	ω_e	ω_ex_e	ω_ey_e	B_e	α_e	γ_e	D_e	β_e	r_e	Trans.	ν₀₀
B ³Π₂	29827	[435.86] Z			0.4693	0.0038 2				1.752₂	B → X R	29623.06 Z
B ³Π₂	↳missing citation
B ³Π₁	29686 3	[435.91] Z			0.4663	0.0038 2				1.752₂	B → X R	29481.80 Z
B ³Π₁	↳missing citation
B ³Π₀	29543	[436.06] Z	4		0.4632 5	0.0038 2				1.752₂	B → X R	29338.68 Z
B ³Π₀	↳missing citation
b ¹Σ⁺	13353.90	866.14 Z	4.51		0.5725	0.0045		[0.9E-6]		1.581₃	b → X V	13363.59 Z
b ¹Σ⁺	↳missing citation
State	T_e	ω_e	ω_ex_e	ω_ey_e	B_e	α_e	γ_e	D_e	β_e	r_e	Trans.	ν₀₀
a ¹Δ	7090.43	858.79 Z	4.438	0.0147	0.5699	0.00467		[1.0E-6]		1.584₉
X ³Σ^-	0	846.75 Z	4.489	0.019	0.5665 6	0.00456				1.589₇

Notes

ΔG(3/2) = 416.57, ΔG(5/2)= 418.96, ΔG(7/2)= 420.98.

Notice that Table VIII of Douglas and Frackowiak, 1962 contains a number of misprints leading to disagreement with constants in Table XI.

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.

ΔG(3/2) = 437.37.

Λ-type doubling independent of J, Λ(v=0) ~0.07 cm^-1 , Λ(v=1) ~0.16 cm^-1 , Λ(v=2) ~0.25 cm^-1 Douglas and Frackowiak, 1962.

Spin-splitting constants λ₀ = +2.9623, γ₀ = +0.0018.

Spin-splitting constant γ = 0.0073.

A = +323.95.

References

Go To: Top, Gas phase thermochemistry data, Gas phase ion energetics data, Constants of diatomic molecules, Notes

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

Butcher, Dyke, et al., 1988
Butcher, V.; Dyke, J.M.; Lewis, A.E.; Morris, A.; Ridha, A., A study of the ground electronic states of the isoelectronic ions PF⁺ and NCl⁺ by vacuum ultraviolet photoelectron spectroscopy, J. Chem. Soc. Faraday Trans. 2, 1988, 84, 299. [all data]

Torgerson and Westmore, 1975
Torgerson, D.F.; Westmore, J.B., Energetics of the ionization and fragmentation of phosphorus trifluoride by electron impact, Can. J. Chem., 1975, 53, 933. [all data]

Dyke, Jonathan, et al., 1982
Dyke, J.M.; Jonathan, N.; Morris, A., Recent progress in the study of transient species with vacuum ultraviolet photoelectron spectroscopy, Int. Rev. Phys. Chem., 1982, 2, 3. [all data]

Skolnik and Goodfriend, 1974
Skolnik, E.G.; Goodfriend, P.L., New emission bands from microwave discharges in argon containing phosphorus-fluorine compounds, J. Mol. Spectrosc., 1974, 50, 202. [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

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Symbols used in this document:

S°_{gas,1 bar} Entropy of gas at standard conditions (1 bar)

Δ_fH°_gas Enthalpy of formation of gas at standard conditions
Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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S°_{gas,1 bar}	Entropy of gas at standard conditions (1 bar)
Δ_fH°_gas	Enthalpy of formation of gas at standard conditions