trifluoroarsine


Reaction thermochemistry 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 as indicated in comments:
B - John E. Bartmess
M - Michael M. Meot-Ner (Mautner) and Sharon G. Lias

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Individual Reactions

Fluorine anion + trifluoroarsine = (Fluorine anion • trifluoroarsine)

By formula: F- + AsF3 = (F- • AsF3)

Quantity Value Units Method Reference Comment
Δr202. ± 8.4kJ/molIMRELarson and McMahon, 1985gas phase; These relative affinities are ca. 10 kcal/mol weaker than threshold values (see Wenthold and Squires, 1995) for donors greater than ca. 27 kcal/mol in free energy. This discrepancy has not yet been resolved, though the stronger value appears preferable.; B,M
Quantity Value Units Method Reference Comment
Δr100.J/mol*KN/ALarson and McMahon, 1985gas phase; switching reaction,Thermochemical ladder(F-)H2O, Entropy change calculated or estimated; Arshadi, Yamdagni, et al., 1970; M
Quantity Value Units Method Reference Comment
Δr172. ± 8.4kJ/molIMRELarson and McMahon, 1985gas phase; These relative affinities are ca. 10 kcal/mol weaker than threshold values (see Wenthold and Squires, 1995) for donors greater than ca. 27 kcal/mol in free energy. This discrepancy has not yet been resolved, though the stronger value appears preferable.; B,M

CN- + trifluoroarsine = (CN- • trifluoroarsine)

By formula: CN- + AsF3 = (CN- • AsF3)

Quantity Value Units Method Reference Comment
Δr104. ± 4.2kJ/molIMRELarson, Szulejko, et al., 1988gas phase; B,M
Quantity Value Units Method Reference Comment
Δr120.J/mol*KN/ALarson, Szulejko, et al., 1988gas phase; switching reaction,Thermochemical ladder(CN-)H2O, Entropy change calculated or estimated; Payzant, Yamdagni, et al., 1971; M
Quantity Value Units Method Reference Comment
Δr69.5 ± 2.1kJ/molIMRELarson, Szulejko, et al., 1988gas phase; B,M

Chlorine anion + trifluoroarsine = (Chlorine anion • trifluoroarsine)

By formula: Cl- + AsF3 = (Cl- • AsF3)

Quantity Value Units Method Reference Comment
Δr108. ± 8.4kJ/molIMRELarson and McMahon, 1985gas phase; B,M
Quantity Value Units Method Reference Comment
Δr100.J/mol*KN/ALarson and McMahon, 1985gas phase; switching reaction,Thermochemical ladder(Cl-)t-C4H9OH, Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Δr77.8 ± 8.4kJ/molIMRELarson and McMahon, 1985gas phase; B,M

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 evaluated as indicated in comments:
HL - Edward P. Hunter and Sharon G. Lias

Data compiled as indicated in comments:
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron

View reactions leading to AsF3+ (ion structure unspecified)

Quantity Value Units Method Reference Comment
Proton affinity (review)636.7kJ/molN/AHunter and Lias, 1998HL
Quantity Value Units Method Reference Comment
Gas basicity604.2kJ/molN/AHunter and Lias, 1998HL

Ionization energy determinations

IE (eV) Method Reference Comment
12.3 ± 0.05EIPabst, Sharpe, et al., 1980LLK
12.84 ± 0.05EIMuller and Fenderl, 1971LLK
13.00PEPotts, Lempka, et al., 1970Vertical value; RDSH

Appearance energy determinations

Ion AE (eV) Other Products MethodReferenceComment
As+27.0 ± 0.43FEIPabst, Sharpe, et al., 1980LLK
AsF+19.6 ± 0.1?EIPabst, Sharpe, et al., 1980LLK
AsF2+12.8 ± 0.1F(-)EIPabst, Sharpe, et al., 1980LLK
F+21.6 ± 0.3AsF2EIPabst, Sharpe, et al., 1980LLK
F+29.3 ± 0.2As+F2EIPabst, Sharpe, et al., 1980LLK
F+31.0As+2FEIPabst, Sharpe, et al., 1980LLK
F2+23.8 ± 0.1AsFEIPabst, Sharpe, et al., 1980LLK

Vibrational and/or electronic energy levels

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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: Takehiko Shimanouchi

Symmetry:   C     Symmetry Number σ = 3


 Sym.   No   Approximate   Selected Freq.  Infrared   Raman   Comments 
 Species   type of mode   Value   Rating   Value  Phase  Value  Phase

a1 1 Sym str 741  A 740.5 S gas 707 liq.
a1 2 Sym deform 337  B 336.5 M gas 341 liq.
e 3 Deg str 702  B 702.2 S gas 644 liq.
e 4 Deg deform 262  B 262.3 M gas 274 liq.

Source: Shimanouchi, 1972

Notes

SStrong
MMedium
A0~1 cm-1 uncertainty
B1~3 cm-1 uncertainty

References

Go To: Top, Reaction thermochemistry data, Gas phase ion energetics data, Vibrational and/or electronic energy levels, Notes

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

Larson and McMahon, 1985
Larson, J.W.; McMahon, T.B., Fluoride and chloride affinities of the main group oxides, fluorides, oxofluorides, and alkyls. Quantitative scales of lewis acidities from ICR halide exchange equilibria, J. Am. Chem. Soc., 1985, 107, 766. [all data]

Wenthold and Squires, 1995
Wenthold, P.G.; Squires, R.R., Bond dissociation energies of F2(-) and HF2(-). A gas-phase experimental and G2 theoretical study, J. Phys. Chem., 1995, 99, 7, 2002, https://doi.org/10.1021/j100007a034 . [all data]

Arshadi, Yamdagni, et al., 1970
Arshadi, M.; Yamdagni, R.; Kebarle, P., Hydration of Halide Negative Ions in the Gas Phase. II. Comparison of Hydration Energies for the Alkali Positive and Halide Negative Ions, J. Phys. Chem., 1970, 74, 7, 1475, https://doi.org/10.1021/j100702a014 . [all data]

Larson, Szulejko, et al., 1988
Larson, J.W.; Szulejko, J.E.; McMahon, T.B., Gas Phase Lewis Acid-Base Interactions. An Experimental Determination of Cyanide Binding Energies From Ion Cyclotron Resonance and High-Pressure Mass Spectrometric Equilibrium Measurements., J. Am. Chem. Soc., 1988, 110, 23, 7604, https://doi.org/10.1021/ja00231a004 . [all data]

Payzant, Yamdagni, et al., 1971
Payzant, J.D.; Yamdagni, R.; Kebarle, P., Hydration of CN-, NO2-, NO3-, and HO- in the gas phase, Can. J. Chem., 1971, 49, 3308. [all data]

Hunter and Lias, 1998
Hunter, E.P.; Lias, S.G., Evaluated Gas Phase Basicities and Proton Affinities of Molecules: An Update, J. Phys. Chem. Ref. Data, 1998, 27, 3, 413-656, https://doi.org/10.1063/1.556018 . [all data]

Pabst, Sharpe, et al., 1980
Pabst, R.E.; Sharpe, M.C.; Margrave, J.L.; Franklin, J.L., An electron impact study of the appearance energies of positive ions from AsF3, AsCl3, AsBr3 and AsF5, Int. J. Mass Spectrom. Ion Phys., 1980, 33, 187. [all data]

Muller and Fenderl, 1971
Muller, J.; Fenderl, K., Reaktionen des π-Cyclopentadienyl-Mangantricarbonyl-Kations mit einfachen Fluorverbindungen in der gasphase, Chem. Ber., 1971, 104, 2207. [all data]

Potts, Lempka, et al., 1970
Potts, A.W.; Lempka, H.J.; Streets, D.G.; Price, W.C., Photoelectron spectra of the halides of elements in groups III, IV, V and VI, Phil. Trans. Roy. Soc. (London), 1970, A268, 59. [all data]

Shimanouchi, 1972
Shimanouchi, T., Tables of Molecular Vibrational Frequencies Consolidated Volume II, J. Phys. Chem. Ref. Data, 1972, 6, 3, 993-1102. [all data]


Notes

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