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:
This structure is also available as a 2d Mol file or as a computed 3d SD file
The 3d structure may be viewed using Java or Javascript.
Permanent link for this species. Use this link for bookmarking this species for future reference.
Information on this page:
Other data available:
- Gas phase ion energetics data
Data at other public NIST sites:
- Microwave spectra (on physics lab web site)
- Computational Chemistry Comparison and Benchmark Database
Options:
- Switch to SI units

Gas phase thermochemistry data

Go To: Top, Constants of diatomic molecules, References, Notes

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.

View plot Requires a JavaScript / HTML 5 canvas capable browser.

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

Constants of diatomic molecules

Go To: Top, Gas phase thermochemistry data, References, Notes

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, 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]

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

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)

Δ_fH°_gas Enthalpy of formation of gas at standard conditions
Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
The National Institute of Standards and Technology (NIST) uses its best efforts to deliver a high quality copy of the Database and to verify that the data contained therein have been selected on the basis of sound scientific judgment. However, NIST makes no warranties to that effect, and NIST shall not be liable for any damage that may result from errors or omissions in the Database.
Customer support for NIST Standard Reference Data products.

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