Iodine monochloride

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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
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein

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Individual Reactions

Fluorine anion + Iodine monochloride = (Fluorine anion • Iodine monochloride)

By formula: F- + ClI = (F- • ClI)

Quantity Value Units Method Reference Comment
Δr94.40kcal/molTherFinch, Gates, et al., 1977gas phase; This value is far more strongly bound than expected from other X3- data; B
Δr43.30kcal/molN/ACheck, Faust, et al., 2001gas phase; FeH2-(q); ; ΔS(EA)=8.2; B
Quantity Value Units Method Reference Comment
Δr33.00kcal/molN/ACheck, Faust, et al., 2001gas phase; FeH2-(q); ; ΔS(EA)=8.2; B

Iodine + Chlorotrifluoromethane = Methane, trifluoroiodo- + Iodine monochloride

By formula: I2 + CClF3 = CF3I + ClI

Quantity Value Units Method Reference Comment
Δr17.27 ± 0.26kcal/molEqkLord, Goy, et al., 1967gas phase; Reanalyzed by Cox and Pilcher, 1970, Original value = 17.10 ± 0.17 kcal/mol; ALS

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:
L - Sharon G. Lias

Data compiled as indicated in comments:
LBLHLM - Sharon G. Lias, John E. Bartmess, Joel F. Liebman, John L. Holmes, Rhoda D. Levin, and W. Gary Mallard
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
B - John E. Bartmess

Quantity Value Units Method Reference Comment
IE (evaluated)10.08 ± 0.01eVN/AN/AL

Electron affinity determinations

EA (eV) Method Reference Comment
1.78487R-ARefaey and Franklin, 1977I- + NOCl ->.; B
2.41 ± 0.10NBIEAuerbach, Hubers, et al., 1973B
1.480 ± 0.050NBIEHubers, Kleyn, et al., 1976Stated electron affinity is the Vertical Detachment Energy; B
3.04178N/ACheck, Faust, et al., 2001FeH-; ; ΔS(EA)=5.3; B

Ionization energy determinations

IE (eV) Method Reference Comment
10.08EVALHuber and Herzberg, 1979LLK
10.09 ± 0.01SVenkateswarlu, 1975LLK
9.95PEPotts and Price, 1971LLK
10.07 ± 0.01PIDibeler, Walker, et al., 1971LLK
10.10PEDyke, Josland, et al., 1984Vertical value; LBLHLM
10.10 ± 0.02PEPotts and Price, 1971Vertical value; LLK

References

Go To: Top, Reaction thermochemistry data, Gas phase ion energetics data, Notes

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

Finch, Gates, et al., 1977
Finch, A.; Gates, P.N.; Peake, S.J., Thermochemistry of polyhalides. III. Cesium and rubidium tetrachloroiodates, J. Inorg. Nucl. Chem., 1977, 39, 2135. [all data]

Check, Faust, et al., 2001
Check, C.E.; Faust, T.O.; Bailey, J.M.; Wright, B.J.; Gilbert, T.M.; Sunderlin, L.S., Addition of Polarization and Diffuse Functions to the LANL2DZ Basis Set for P-Block Elements, J. Phys. Chem. A,, 2001, 105, 34, 8111, https://doi.org/10.1021/jp011945l . [all data]

Lord, Goy, et al., 1967
Lord, A.; Goy, C.A.; Pritchard, H.O., The heats of formation of trifluoromethyl chloride and bromide, J. Phys. Chem., 1967, 71, 2705-2707. [all data]

Cox and Pilcher, 1970
Cox, J.D.; Pilcher, G., Thermochemistry of Organic and Organometallic Compounds, Academic Press, New York, 1970, 1-636. [all data]

Refaey and Franklin, 1977
Refaey, K.M.A.; Franklin, J.L., Endoergic ion-molecule collision processes of negative ions. VI. Collisions of I- on (CN)2 and NOCl, Int. J. Mass Spectrom. Ion Phys., 1977, 23, 13. [all data]

Auerbach, Hubers, et al., 1973
Auerbach, D.J.; Hubers, M.M.; Baeda, A.P.M.; Los, J., Chemi-ionization in alkali-heteronuclear halogen collisions: Role of excited molecular ion states, Chem. Phys., 1973, 2, 107. [all data]

Hubers, Kleyn, et al., 1976
Hubers, M.M.; Kleyn, A.W.; Los, J., Ion pair formation in alkali-halogen collisions at high velocities, Chem. Phys., 1976, 17, 303. [all data]

Huber and Herzberg, 1979
Huber, K.P.; Herzberg, G., Molecular Spectra and Molecular Structure. IV. Constants of Diatomic Molecules,, Van Nostrand Reinhold Co., 1979, ,1. [all data]

Venkateswarlu, 1975
Venkateswarlu, P., The vacuum ultraviolet spectrum of ICl, Can. J. Phys., 1975, 53, 812. [all data]

Potts and Price, 1971
Potts, A.W.; Price, W.C., Photoelectron spectra of the halogens and mixed halides ICI and lBr, J. Chem. Soc. Faraday Trans., 1971, 67, 1242. [all data]

Dibeler, Walker, et al., 1971
Dibeler, V.H.; Walker, J.A.; McCulloh, K.E.; Rosenstock, H.M., Effect of hot bands on the ionization threshold of some diatomic halogen molecules, Intern. J. Mass Spectrom. Ion Phys., 1971, 7, 209. [all data]

Dyke, Josland, et al., 1984
Dyke, J.M.; Josland, G.D.; Snijders, J.G.; Boerrigter, P.M., Ionization energies of the diatomic halogens and interhalogens studied with relativistic hartree-fock-slater calculations, Chem. Phys., 1984, 91, 419. [all data]


Notes

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