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Chlorine atom

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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 - E.P. Hunter and S.G. Lias
L - S.G. Lias

Data compiled as indicated in comments:
B - J.E. Bartmess
LL - S.G. Lias and J.F. Liebman
LBLHLM - S.G. Lias, J.E. Bartmess, J.F. Liebman, J.L. Holmes, R.D. Levin, and W.G. Mallard
LLK - S.G. Lias, R.D. Levin, and S.A. Kafafi
RDSH - H.M. Rosenstock, K. Draxl, B.W. Steiner, and J.T. Herron

View reactions leading to Cl+ (ion structure unspecified)

QuantityValueUnitsMethodReferenceComment
IE (evaluated)12.96764eVN/AN/AL
QuantityValueUnitsMethodReferenceComment
Proton affinity (review)513.6kJ/molN/AHunter and Lias, 1998HL
QuantityValueUnitsMethodReferenceComment
Gas basicity490.1kJ/molN/AHunter and Lias, 1998HL

Electron affinity determinations

EA (eV)MethodReferenceComment
3.6131D-EAMartin and Hepburn, 1998Given: «DELTA»Hacid(0K)=116288.7±0.6 cm-1, or 332.486±0.002 kcal/mol; B
3.612709 ± 0.000087LPDTrainham, Fletcher, et al., 1987reported: 29138.3±0.5 cm-1; B
3.613577 ± 0.000044LPDBerzinsh, Gustafsson, et al., 1995EA(35Cl) = 0.000049 kcal/mol < EA(37Cl); B
3.6130 ± 0.0030N/ABerry and Reimann, 1963B
3.71518N/ACheck, Faust, et al., 2001FeCC-(q); ; «DELTA»S(EA)=5.0; B

Ionization energy determinations

IE (eV)MethodReferenceComment
12.96764EVALLide, 1992LL
12.968SKelly, 1987LBLHLM
12.97PEKimura, Yamazaki, et al., 1978LLK
12.97 ± 0.02PEDe Leeuw, Mooyman, et al., 1978LLK
12.967SCermak, 1975LLK
12.967SMoore, 1970RDSH
12.96763 ± 0.00004SRadziemski and Kaufman, 1969RDSH

Anion protonation reactions

Chlorine anion + Hydrogen cation = Hydrogen chloride

By formula: Cl- + H+ = HCl

QuantityValueUnitsMethodReferenceComment
Deltar1394.9kJ/molN/AMartin and Hepburn, 1998gas phase; Given: «DELTA»Hacid(0K)=116288.7±0.6 cm-1, or 332.486±0.002 kcal/mol; B
Deltar1396. ± 8.8kJ/molG+TSFujio, McIver, et al., 1981gas phase; value altered from reference due to change in acidity scale; B
Deltar1377.0kJ/molN/ACheck, Faust, et al., 2001gas phase; FeCC-(q); ; «DELTA»S(EA)=5.0; B
QuantityValueUnitsMethodReferenceComment
Deltar1372.8 ± 0.42kJ/molH-TSMartin and Hepburn, 1998gas phase; Given: «DELTA»Hacid(0K)=116288.7±0.6 cm-1, or 332.486±0.002 kcal/mol; B
Deltar1374. ± 8.4kJ/molIMREFujio, McIver, et al., 1981gas phase; value altered from reference due to change in acidity scale; B
Deltar1354.4kJ/molN/ACheck, Faust, et al., 2001gas phase; FeCC-(q); ; «DELTA»S(EA)=5.0; B

References

Go To: Top, 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.

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. [doi:10.1063/1.556018] [all data]

Martin and Hepburn, 1998
Martin, J.D.D.; Hepburn, J.W., Determination of bond dissociation energies by threshold ion-pair production spectroscopy: An improved D-0(HCl), J. Chem. Phys., 1998, 109, 19, 8139-8142. [doi:10.1063/1.477476] [all data]

Trainham, Fletcher, et al., 1987
Trainham, R.; Fletcher, G.D.; Larson, D.J., One- and Two-Photon Detachment of the Negative Chlorine Ion, J. Phys. B: Atom. Mol. Phys., 1987, 20, 23, L777. [doi:10.1088/0022-3700/20/23/002] [all data]

Berzinsh, Gustafsson, et al., 1995
Berzinsh, U.; Gustafsson, M.; Hanstorp, D.; Klinkmuller, A.; Ljungblad, U.; Martenssonpendrill, A.M., Isotope shift in the electron affinity of chlorine, Phys. Rev. A, 1995, 51, 1, 231. [doi:10.1103/PhysRevA.51.231] [all data]

Berry and Reimann, 1963
Berry, R.S.; Reimann, C.W., Absorption Spectrum of Gaseous Fluoride and the Electron Affinities of the Halogen Atoms, J. Chem. Phys., 1963, 38, 7, 1540. [doi:10.1063/1.1776916] [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. [doi:10.1021/jp011945l] [all data]

Lide, 1992
Lide, D.R. (Editor), Ionization potentials of atoms and atomic ions in Handbook of Chem. and Phys., 1992, 10-211. [all data]

Kelly, 1987
Kelly, R.L., Atomic and ionic spectrum lines of hydrogen through kryton, J. Phys. Chem. Ref. Data, 1987, 16. [all data]

Kimura, Yamazaki, et al., 1978
Kimura, K.; Yamazaki, T.; Achiba, Y., He I (584 A) photoelectron spectra and photoionization cross sections of atomic chlorine and bromine, Chem. Phys. Lett., 1978, 58, 104. [all data]

De Leeuw, Mooyman, et al., 1978
De Leeuw, D.M.; Mooyman, R.; De Lange, C.A., He(I) photoelectron spectroscopy of halogen atoms, Chem. Phys. Lett., 1978, 54, 231. [all data]

Cermak, 1975
Cermak, V., Electron spectroscopy of autoionizing states of oxygen, chlorine and bromine atoms, J. Electron Spectrosc. Relat. Phenom., 1975, 6, 135. [all data]

Moore, 1970
Moore, C.E., Ionization potentials and ionization limits derived from the analyses of optical spectra, Natl. Stand. Ref. Data Ser., (U.S. Natl. Bur. Stand.), 1970, 34, 1. [all data]

Radziemski and Kaufman, 1969
Radziemski, L.J., Jr.; Kaufman, V., Wavelengths, energy levels, and analysis of neutral atomic chlorine (Cl I), J. Opt. Soc. Am., 1969, 59, 424. [all data]

Fujio, McIver, et al., 1981
Fujio, M.; McIver, R.T., Jr.; Taft, R.W., Effects on the acidities of phenols from specific substituent-solvent interactions. Inherent substituent parameters from gas phase acidities, J. Am. Chem. Soc., 1981, 103, 4017. [all data]


Notes

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