Chlorine atom
- Formula: Cl
- Molecular weight: 35.453
- IUPAC Standard InChIKey: ZAMOUSCENKQFHK-UHFFFAOYSA-N
- CAS Registry Number: 22537-15-1
- Chemical structure:
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- Other data available:
- Data at other public NIST sites:
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- NIST Atomic Spectra Database - Levels Holdings (on physics web site)
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- Gas Phase Kinetics Database
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Gas phase ion energetics data
Go To: Top, References, Notes
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
L - Sharon G. Lias
Data compiled as indicated in comments:
B - John E. Bartmess
LL - Sharon G. Lias and Joel F. Liebman
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
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron
View reactions leading to Cl+ (ion structure unspecified)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
IE (evaluated) | 12.96764 | eV | N/A | N/A | L |
Quantity | Value | Units | Method | Reference | Comment |
Proton affinity (review) | 513.6 | kJ/mol | N/A | Hunter and Lias, 1998 | HL |
Quantity | Value | Units | Method | Reference | Comment |
Gas basicity | 490.1 | kJ/mol | N/A | Hunter and Lias, 1998 | HL |
Electron affinity determinations
EA (eV) | Method | Reference | Comment |
---|---|---|---|
3.6131 | D-EA | Martin and Hepburn, 1998 | Given: ΔHacid(0K)=116288.7±0.6 cm-1, or 332.486±0.002 kcal/mol; B |
3.612709 ± 0.000087 | LPD | Trainham, Fletcher, et al., 1987 | reported: 29138.3±0.5 cm-1; B |
3.613577 ± 0.000044 | LPD | Berzinsh, Gustafsson, et al., 1995 | EA(35Cl) = 0.000049 kcal/mol < EA(37Cl); B |
3.6130 ± 0.0030 | N/A | Berry and Reimann, 1963 | B |
3.71518 | N/A | Check, Faust, et al., 2001 | FeCC-(q); ; ΔS(EA)=5.0; B |
Ionization energy determinations
IE (eV) | Method | Reference | Comment |
---|---|---|---|
12.96764 | EVAL | Lide, 1992 | LL |
12.968 | S | Kelly, 1987 | LBLHLM |
12.97 | PE | Kimura, Yamazaki, et al., 1978 | LLK |
12.97 ± 0.02 | PE | De Leeuw, Mooyman, et al., 1978 | LLK |
12.967 | S | Cermak, 1975 | LLK |
12.967 | S | Moore, 1970 | RDSH |
12.96763 ± 0.00004 | S | Radziemski and Kaufman, 1969 | RDSH |
Anion protonation reactions
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 1394.9 | kJ/mol | N/A | Martin and Hepburn, 1998 | gas phase; Given: ΔHacid(0K)=116288.7±0.6 cm-1, or 332.486±0.002 kcal/mol; B |
ΔrH° | 1396. ± 8.8 | kJ/mol | G+TS | Fujio, McIver, et al., 1981 | gas phase; value altered from reference due to change in acidity scale; B |
ΔrH° | 1377.0 | kJ/mol | N/A | Check, Faust, et al., 2001 | gas phase; FeCC-(q); ; ΔS(EA)=5.0; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 1372.8 ± 0.42 | kJ/mol | H-TS | Martin and Hepburn, 1998 | gas phase; Given: ΔHacid(0K)=116288.7±0.6 cm-1, or 332.486±0.002 kcal/mol; B |
ΔrG° | 1374. ± 8.4 | kJ/mol | IMRE | Fujio, McIver, et al., 1981 | gas phase; value altered from reference due to change in acidity scale; B |
ΔrG° | 1354.4 | kJ/mol | N/A | Check, Faust, et al., 2001 | gas phase; FeCC-(q); ; ΔS(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, https://doi.org/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, https://doi.org/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, https://doi.org/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, https://doi.org/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, https://doi.org/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, https://doi.org/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
Go To: Top, Gas phase ion energetics data, References
- Symbols used in this document:
EA Electron affinity IE (evaluated) Recommended ionization energy ΔrG° Free energy of reaction at standard conditions ΔrH° Enthalpy of reaction at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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