AsF radical

Formula: AsF
Molecular weight: 93.92000
CAS Registry Number: 15120-13-5
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Gas phase ion energetics data

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View reactions leading to AsF⁺ (ion structure unspecified)

Electron affinity determinations

EA (eV)	Method	Reference	Comment
1.29997	EIAE	Pabst, Bennett, et al., 1976	From AsF₃; G3MP2B3 calculations indicate an EA of ca.0.9 eV

Constants of diatomic molecules

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

Data collected through January, 1976

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 ⁷⁵As¹⁹F
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
d ¹Π					[0.3989] 1			[0.00000043]		[1.669₈]	d → b V	37032.07 Z
	↳Yee, Liu, et al., 1970; missing citation
											d ↔ a V	43628.60 Z
	↳Yee, Liu, et al., 1970; missing citation
											d ← X₁ V	50686.43 Z
	↳Liu and Jones, 1972
C (³Π)											C → X V	49758 H
C (³Π)	↳Liu and Jones, 1972
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
c ¹Π	48672.5	817.30 Z	4.39		0.4004 2 3	0.0027		4.0E-07		1.666₇	c → b V	35083.56 Z
	↳Yee, Liu, et al., 1970; missing citation; Liu and Jones, 1972
											c ↔ a V	41680.09 Z
	↳missing citation; missing citation
											c ↔ X₂ V	48599 4
	↳Liu and Jones, 1972
											c ↔ X₁ V	48737.92 Z
	↳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
B ³Π	(48138)	815.5 5 H	3.9₆ 6								B ↔ X V	48202.2 5 H
B ³Π	↳missing citation
c' ¹Π	32479.5	399.38 Z	1.34	-0.015	0.2932 7	0.0018		0.00000062		1.948	c' → b V	18682.4
	↳missing citation
											c' → a V	25278.88 Z
	↳missing citation
c' ¹Π 8											c' → X₂ V	32198
c' ¹Π 8	↳Chatalic, Danon, et al., 1973
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
A₄ ³Π₂	27152	412.28 Z	1.43	-0.031	0.2918	0.0020		0.0000006		1.954	A₄ → X₂ V	26877.0 Z
A₄ ³Π₂	↳missing citation
A₃ ³Π₁	26348	412.13 Z	1.44	-0.026	0.2920 9	0.0020					A₃ → X₁ V	26211.7 Z
A₃ ³Π₁	↳missing citation
A₂ ³Π₀₊	25751	(419.8) H			(0.2914)	(0.0018)					A₂ → X₂ V	25480
A₂ ³Π₀₊	↳Chatalic, Danon, et al., 1974
A₁ ³Π_0-	25719	412.21 Z	1.32	-0.026	0.2904	0.0018					A₁ → X₂ V	25444.5 Z
A₁ ³Π_0-	↳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
b ¹Σ⁺	13648.6	697.34 Z	3.08		0.3719	0.0028		0.00000047		1.729₄	b → X₂ V	13515.78 Z
	↳missing citation
											b → X₁ V	13654.4 Z
	↳Liu and Jones, 1972
a ¹Δ	7053.5	694.44 Z	3.06		0.3707	0.0026		0.00000044		1.732₂
X₂ ³Σ^- 1	138.7	685.50 H^Q	2.95		0.3691 10 11	0.0028		0.00000045		1.736₀ 10
X₁ ³Σ^- 0⁺	0	685.78 Z	3.12		0.3648 12 11	0.0024		0.00000045		1.736₀ 10

Notes

Predissociated near J = 30.

Λ-type doubling, Δν_ef ~ +0.00005J(J+1).

Predissociation in v=1 at J ~60; v=2 observed in absorption only.

Very weak band.

The vibrational analysis of Liu and Jones, 1972 assigns v=0 to the lowest level observed in emission. However, the 1-0 and 0-0 bands may have been observed in absorption Chatalic, Danon, et al., 1971 at 49001 and 48192 cm^-1 [47192 in Chatalic, Danon, et al., 1971 seems to be a misprint] as members of a strong upper state progression which begins at 47381 cm^-1 and may even include a diffuse band at 46570 cm^-1. No details.

Very complicated rotational structure.

Λ-type doubling, Δν_ef ~ +0.000015J(J+1).

Fragments of a system

Small Λ-type doubling.

B_e and r_e from the f component;Δν_ef = + 0.0035J(J+1).

For a more detailed discussion of the X ³Σ^- (0⁺,1) fine structure see Veseth, 1973.

Effective value.

Theoretical calculations, for D₀⁰ supported by limited experimental data; see O'Hare, Batana, et al., 1973. The same paper gives theoretical values for the electron affinity (1.1 eV) and dipole moment (1.75 D) of AsF.

Long 0-0 sequence of V shaded Q heads; R, P branches undegraded.

References

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Pabst, Bennett, et al., 1976
Pabst, R.E.; Bennett, S.L.; Franklin, J.L.; Margrave, J.L., Negative ion electron impact studies of arsenic trihalides: AsF₃, AsCl₃, and AsBr₃, J. Chem. Phys., 1976, 64, 1550. [all data]

Yee, Liu, et al., 1970
Yee, K.K.; Liu, D.S.; Jones, W.E., Vibrational analysis of the singlet systems of AsF, J. Mol. Spectrosc., 1970, 35, 153. [all data]

Liu and Jones, 1972
Liu, D.S.; Jones, W.E., The spectrum of AsF in the near vacuum ultraviolet and near infrared regions, Can. J. Phys., 1972, 50, 1230. [all data]

Chatalic, Danon, et al., 1973
Chatalic, A.; Danon, N.; Iacocca, D.; Pannetier, G., Etude des etats electroniques du monofluorure d'arsenic de configuration σπ. I. L'etat c'¹Π, J. Chim. Phys. Phys.-Chim. Biol., 1973, 70, 1600. [all data]

Chatalic, Danon, et al., 1974
Chatalic, A.; Danon, N.; Pannetier, G., Etude des etats electroniques du monofluorure d'arsenic de configuration σπ. II. L'etat A³Π, J. Chim. Phys. Phys.-Chim. Biol., 1974, 71, 243. [all data]

Chatalic, Danon, et al., 1971
Chatalic, A.; Danon, N.; Pannetier, G., Analyses du spectre d'absorption et de deux nouveaux systemes singulets du monofluorure d'arsenic., C.R. Acad. Sci. Paris, Ser. C, 1971, 273, 874. [all data]

Veseth, 1973
Veseth, L., Hund's coupling case (c) in diatomic molecules. II. Examples, J. Phys. B:, 1973, 6, 1484. [all data]

O'Hare, Batana, et al., 1973
O'Hare, P.A.G.; Batana, A.; Wahl, A.C., Arsenic monofluoride (AsF,³Σ): dissociation enthalpy, ionization potential, electron affinity, dipole moment, spectroscopic constants, and ideal gas thermodynamic functions from a Hartree-Fock molecular orbital investigation, J. Chem. Phys., 1973, 59, 6495. [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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