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AsF radical


Gas phase ion energetics data

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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Data compiled by: John E. Bartmess

View reactions leading to AsF+ (ion structure unspecified)

Electron affinity determinations

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

Constants of diatomic molecules

Go To: Top, Gas phase ion energetics 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 January, 1976

Symbols used in the table of constants
SymbolMeaning
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)
Diatomic constants for 75As19F
StateTeomegaeomegaexeomegaeyeBealphaegammaeDebetaereTrans.nu00
d 1Pi     [0.3989] 1   [0.00000043]  [1.6698] d rarrow b V 37032.07 Z
Yee, Liu, et al., 1970; missing citation
           d lrarrow a V 43628.60 Z
Yee, Liu, et al., 1970; missing citation
           d larrow X1 V 50686.43 Z
Liu and Jones, 1972
C (3Pi)           C rarrow X V 49758 H
Liu and Jones, 1972
StateTeomegaeomegaexeomegaeyeBealphaegammaeDebetaereTrans.nu00
c 1Pi 48672.5 817.30 Z 4.39  0.4004 2 3 0.0027  4.0E-07  1.6667 c rarrow b V 35083.56 Z
Yee, Liu, et al., 1970; missing citation; Liu and Jones, 1972
           c lrarrow a V 41680.09 Z
missing citation; missing citation
           c lrarrow X2 V 48599 4
Liu and Jones, 1972
           c lrarrow X1 V 48737.92 Z
missing citation
StateTeomegaeomegaexeomegaeyeBealphaegammaeDebetaereTrans.nu00
B 3Pi (48138) 815.5 5 H 3.96 6        B lrarrow X V 48202.2 5 H
missing citation
c' 1Pi 32479.5 399.38 Z 1.34 -0.015 0.2932 7 0.0018  0.00000062  1.948 c' rarrow b V 18682.4
missing citation
           c' rarrow a V 25278.88 Z
missing citation
c' 1Pi 8           c' rarrow X2 V 32198
Chatalic, Danon, et al., 1973
StateTeomegaeomegaexeomegaeyeBealphaegammaeDebetaereTrans.nu00
A4 3Pi2 27152 412.28 Z 1.43 -0.031 0.2918 0.0020  0.0000006  1.954 A4 rarrow X2 V 26877.0 Z
missing citation
A3 3Pi1 26348 412.13 Z 1.44 -0.026 0.2920 9 0.0020     A3 rarrow X1 V 26211.7 Z
missing citation
A2 3Pi0+ 25751 (419.8) H   (0.2914) (0.0018)     A2 rarrow X2 V 25480
Chatalic, Danon, et al., 1974
A1 3Pi0- 25719 412.21 Z 1.32 -0.026 0.2904 0.0018     A1 rarrow X2 V 25444.5 Z
missing citation
StateTeomegaeomegaexeomegaeyeBealphaegammaeDebetaereTrans.nu00
b 1Sigma+ 13648.6 697.34 Z 3.08  0.3719 0.0028  0.00000047  1.7294 b rarrow X2 V 13515.78 Z
missing citation
           b rarrow X1 V 13654.4 Z
Liu and Jones, 1972
a 1Delta 7053.5 694.44 Z 3.06  0.3707 0.0026  0.00000044  1.7322  
X2 3Sigma- 1 138.7 685.50 HQ 2.95  0.3691 10 11 0.0028  0.00000045  1.7360 10  
X1 3Sigma- 0+ 0 685.78 Z 3.12  0.3648 12 11 0.0024  0.00000045  1.7360 10  

Notes

1Predissociated near J = 30.
2Lambda-type doubling, Deltanuef ~ +0.00005J(J+1).
3Predissociation in v=1 at J ~60; v=2 observed in absorption only.
4Very weak band.
5The 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.
6Very complicated rotational structure.
7Lambda-type doubling, Deltanuef ~ +0.000015J(J+1).
8Fragments of a system
9Small Lambda-type doubling.
10Be and re from the f component;Deltanuef = + 0.0035J(J+1).
11For a more detailed discussion of the X 3Sigma- (0+,1) fine structure see Veseth, 1973.
12Effective value.
13Theoretical 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.
14Long 0-0 sequence of V shaded Q heads; R, P branches undegraded.

References

Go To: Top, Gas phase ion energetics 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.

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 «sigma»«pi». I. L'etat c'1«PI», 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 «sigma»«pi». II. L'etat A3«PI», 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,3«SIGMA»): 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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