Fluoroimidogen

Formula: FN
Molecular weight: 33.0051
IUPAC Standard InChI: InChI=1S/FN/c1-2
IUPAC Standard InChIKey: CMUBZTZNXGBJMQ-UHFFFAOYSA-N
CAS Registry Number: 13967-06-1
Chemical structure:
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Other data available:
- Gas phase thermochemistry data
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Gas phase ion energetics data

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

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
B - John E. Bartmess

View reactions leading to FN⁺ (ion structure unspecified)

Electron affinity determinations

EA (eV)	Method	Reference	Comment
0.499990	EIAE	Sidirov, 1982	value altered from reference due to conversion from electron convention to ion convention; B

Ionization energy determinations

IE (eV)	Method	Reference	Comment
12.1 ± 0.4	EI	Tarnovsky, Levin, et al., 1994	LL
12.26 ± 0.01	PE	Dyke, Jonathan, et al., 1982	LBLHLM
12.63 ± 0.01	PE	Dyke, Jonathan, et al., 1982	Vertical value; LBLHLM

Constants of diatomic molecules

Go To: Top, Gas phase ion energetics data, References, Notes

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

Data collected through May, 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 ¹⁴N¹⁹F
State	T_e	ω_e	ω_ex_e	B_e	α_e	D_e	r_e	Trans.	ν₀₀
Theoretical potential functions and spectroscopic constants for the ground and several excited states O'Hare and Wahl, 1971, Andersen and Ohrn, 1973, Ellis and Banyard, 1974
b ¹Σ⁺	18877.05	1197.49 Z	8.64	1.2377₀	0.01448	5.28E-6	1.2998₃	b 1 → X 2 V	18905.20 Z
b ¹Σ⁺	↳missing citation
a ¹Δ	[12003.60]			[1.2225] 3		[4.5E-6]	[1.3079]	a → X V	11435.16 Z
a ¹Δ	↳missing citation
X ³Σ^-	0	1141.37 Z	8.99	1.2056₈ 4	0.01492	5.39E-6	1.3169₈ 5
X ³Σ^-	↳Milligan and Jacox, 1964

Notes

Lifetime 0.1₆ s, estimated from the rate of attenuation of the green emission in the reaction N + NF₂ along a flow tube Clyne and White, 1970.

Franck-Condon factors Mohamed, Khanna, et al., 1974.

Spin coupling constants λ₀ = 1.2l₅, γ₀ = -0.0048.

missing note

Vibration sp. 7

Estimated by O'Hare and Wahl, 1971 on the basis of spectroscopic and thermochemical data; the ab initio computed value is 3.6 eV.

Observed in argon and nitrogen matrices, ΔG(1/2) = 1115.

References

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

Sidirov, 1982
Sidirov, L.N., Molecules with a high electron affinity, Russ. Chem. Rev., 1982, 51, 356. [all data]

Tarnovsky, Levin, et al., 1994
Tarnovsky, V.; Levin, A.; Becker, K., Absolute cross sections for the electron impact ionization of the NF₂ and NF free radicals, J. Chem. Phys., 1994, 100, 5626. [all data]

Dyke, Jonathan, et al., 1982
Dyke, J.M.; Jonathan, N.; Lewis, A.E.; Morris, A., Vacuum ultraviolet photoelectron spectroscopy of transient species. Part 14. A study of the ground state of NF⁺ via the ionization processes NF⁺(X ²Π)←NF(X³Σ^-,a¹Δ), J. Chem. Soc. Faraday Trans. 2, 1982, 78, 1445. [all data]

O'Hare and Wahl, 1971
O'Hare, P.A.G.; Wahl, A.C., Quantum-chemical study of some pnicogen monofluorides, J. Chem. Phys., 1971, 54, 4563. [all data]

Andersen and Ohrn, 1973
Andersen, A.; Ohrn, Y., Configuration interaction studies of NF and NF⁺, J. Mol. Spectrosc., 1973, 45, 358. [all data]

Ellis and Banyard, 1974
Ellis, D.J.; Banyard, K.E., A calculation of the spectroscopic constants for several states of NF, J. Phys. B:, 1974, 7, 2021. [all data]

Milligan and Jacox, 1964
Milligan, D.E.; Jacox, M.E., Infrared Spectra of NF, NCl, and NBr, J. Chem. Phys., 1964, 40, 9, 2461, https://doi.org/10.1063/1.1725547 . [all data]

Clyne and White, 1970
Clyne, M.A.A.; White, I.F., Electronic energy transfer processes in fluorine-containing radicals: singlet NF, Chem. Phys. Lett., 1970, 6, 465. [all data]

Mohamed, Khanna, et al., 1974
Mohamed, K.A.; Khanna, B.N.; Lal, K.M., Franck-Condon factors & r-centroids for the b¹Σ⁺ -- X³Σ^- band system of NF, Indian J. Pure Appl. Phys., 1974, 12, 243. [all data]

Notes

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Symbols used in this document:

EA Electron affinity
Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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