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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Gas phase 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.
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔfH°gas | 28.992 ± 0.002 | kcal/mol | Review | Cox, Wagman, et al., 1984 | CODATA Review value |
ΔfH°gas | 28.991 | kcal/mol | Review | Chase, 1998 | Data last reviewed in June, 1982 |
Quantity | Value | Units | Method | Reference | Comment |
S°gas,1 bar | 39.4814 ± 0.001 | cal/mol*K | Review | Cox, Wagman, et al., 1984 | CODATA Review value |
S°gas,1 bar | 39.481 | cal/mol*K | Review | Chase, 1998 | Data last reviewed in June, 1982 |
Gas Phase Heat Capacity (Shomate Equation)
Cp° = A + B*t + C*t2 + D*t3 +
E/t2
H° − H°298.15= A*t + B*t2/2 +
C*t3/3 + D*t4/4 − E/t + F − H
S° = A*ln(t) + B*t + C*t2/2 + D*t3/3 −
E/(2*t2) + G
Cp = heat capacity (cal/mol*K)
H° = standard enthalpy (kcal/mol)
S° = standard entropy (cal/mol*K)
t = temperature (K) / 1000.
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Temperature (K) | 298. to 600. | 600. to 6000. |
---|---|---|
A | 3.198609 | 5.560701 |
B | 10.11950 | -0.371878 |
C | -15.47480 | 0.082913 |
D | 7.886071 | -0.006205 |
E | 0.015134 | 0.036619 |
F | 27.76030 | 27.40449 |
G | 41.03819 | 46.34039 |
H | 28.99190 | 28.99190 |
Reference | Chase, 1998 | Chase, 1998 |
Comment | Data last reviewed in June, 1982 | Data last reviewed in June, 1982 |
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
Note: Please consider using the reaction search for this species. This page allows searching of all reactions involving this species. A general reaction search form is also available. Future versions of this site may rely on reaction search pages in place of the enumerated reaction displays seen below.
Individual Reactions
(CAS Reg. No. 12599-09-6 • 4294967295) +
= CAS Reg. No. 12599-09-6
By formula: (CAS Reg. No. 12599-09-6 • 4294967295Cl) + Cl = CAS Reg. No. 12599-09-6
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 41.1 ± 1.7 | kcal/mol | CIDT | Lobring, Check, et al., 2005 | gas phase; Affinity is Cl.. POCl2-; B |
CAS Reg. No. 666718-71-4 + = Cl2PS-
By formula: CAS Reg. No. 666718-71-4 + Cl = Cl2PS-
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 44.5 ± 1.4 | kcal/mol | CIDT | Lobring, Check, et al., 2005 | gas phase; Affinity is Cl.. ClPS-; B |
By formula: C2H4ClI = I + Cl + C2H4
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 76.5 ± 1.0 | kcal/mol | Kin | Minton, Felder, et al., 1984 | gas phase; ALS |
By formula: C4BrClO4Re + Cl = C4BrClO4Re-
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | >79.20 | kcal/mol | IMRB | Jones, McDonald, et al., 1989 | gas phase; B |
C4ClO4Re + = C4Cl2O4Re-
By formula: C4ClO4Re + Cl = C4Cl2O4Re-
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | >79.20 | kcal/mol | IMRB | Jones, McDonald, et al., 1989 | gas phase; B |
C4BrIMnO4 + = C4BrClMnO4-
By formula: C4BrIMnO4 + Cl = C4BrClMnO4-
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | >70.30 | kcal/mol | IMRB | Jones, McDonald, et al., 1989 | gas phase; B |
C4ClIMnO4 + = C4Cl2MnO4-
By formula: C4ClIMnO4 + Cl = C4Cl2MnO4-
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | >70.30 | kcal/mol | IMRB | Jones, McDonald, et al., 1989 | gas phase; B |
C6H5O3Re + = C6H5ClO3Re-
By formula: C6H5O3Re + Cl = C6H5ClO3Re-
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | >82.80 | kcal/mol | IMRB | Jones, McDonald, et al., 1989 | gas phase; B |
CAS Reg. No. 121175-69-7 + = C6H5ClMnO3-
By formula: CAS Reg. No. 121175-69-7 + Cl = C6H5ClMnO3-
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | >70.30 | kcal/mol | IMRB | Jones, McDonald, et al., 1989 | gas phase; B |
By formula: C5CrO5- + Cl = C5ClCrO5-
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | >79.20 | kcal/mol | IMRB | Jones, McDonald, et al., 1989 | gas phase; B |
By formula: C3NiO3- + Cl = C3ClNiO3-
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | >79.20 | kcal/mol | IMRB | Jones, McDonald, et al., 1989 | gas phase; B |
By formula: C4FeO4- + Cl = C4ClFeO4-
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | >70.30 | kcal/mol | IMRB | Jones, McDonald, et al., 1989 | gas phase; B |
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
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) | 122.8 | kcal/mol | N/A | Hunter and Lias, 1998 | HL |
Quantity | Value | Units | Method | Reference | Comment |
Gas basicity | 117.1 | kcal/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° | 333.40 | kcal/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° | 333.6 ± 2.1 | kcal/mol | G+TS | Fujio, McIver, et al., 1981 | gas phase; value altered from reference due to change in acidity scale; B |
ΔrH° | 329.10 | kcal/mol | N/A | Check, Faust, et al., 2001 | gas phase; FeCC-(q); ; ΔS(EA)=5.0; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 328.10 ± 0.10 | kcal/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° | 328.3 ± 2.0 | kcal/mol | IMRE | Fujio, McIver, et al., 1981 | gas phase; value altered from reference due to change in acidity scale; B |
ΔrG° | 323.70 | kcal/mol | N/A | Check, Faust, et al., 2001 | gas phase; FeCC-(q); ; ΔS(EA)=5.0; B |
Ion clustering data
Go To: Top, Gas phase thermochemistry data, Reaction thermochemistry data, Gas phase ion energetics data, NIST Free Links, NIST Subscription Links, 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: John E. Bartmess
Note: Please consider using the reaction search for this species. This page allows searching of all reactions involving this species. Searches may be limited to ion clustering reactions. A general reaction search form is also available.
Clustering reactions
By formula: C3NiO3- + Cl = C3ClNiO3-
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | >79.20 | kcal/mol | IMRB | Jones, McDonald, et al., 1989 | gas phase |
By formula: C4FeO4- + Cl = C4ClFeO4-
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | >70.30 | kcal/mol | IMRB | Jones, McDonald, et al., 1989 | gas phase |
By formula: C5CrO5- + Cl = C5ClCrO5-
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | >79.20 | kcal/mol | IMRB | Jones, McDonald, et al., 1989 | gas phase |
References
Go To: Top, Gas phase thermochemistry data, Reaction thermochemistry data, Gas phase ion energetics data, Ion clustering data, NIST Free Links, NIST Subscription Links, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Cox, Wagman, et al., 1984
Cox, J.D.; Wagman, D.D.; Medvedev, V.A.,
CODATA Key Values for Thermodynamics, Hemisphere Publishing Corp., New York, 1984, 1. [all data]
Chase, 1998
Chase, M.W., Jr.,
NIST-JANAF Themochemical Tables, Fourth Edition,
J. Phys. Chem. Ref. Data, Monograph 9, 1998, 1-1951. [all data]
Lobring, Check, et al., 2005
Lobring, K.C.; Check, C.E.; Boggs, M.L.; Keating, P.R.; Sunderlin, L.S.,
Bond strengths in POCl3-, POCl2-, and PSCl2-,
Int. J. Mass Spectrom., 2005, 241, 1, 75-81, https://doi.org/10.1016/j.ijms.2004.10.023
. [all data]
Minton, Felder, et al., 1984
Minton, T.K.; Felder, P.; Brudzynski, R.J.; Lee, Y.T.,
Photodissociation of 1,2-chloroiodoethane at 248 and 266 nm: The enthalpy of formation of CH2ClCH2I,
J. Chem. Phys., 1984, 81, 1759-1769. [all data]
Jones, McDonald, et al., 1989
Jones, M.T.; McDonald, R.N.; Schell, P.L.; Ali, M.H.,
Kinetics and Mechanism of Halogen Atom Transfer Reactions between Haloalkanes and Several 17-Electron Transition Metal Complex Negative Ions in the Gas Phase,
J. Am. Chem. Soc., 1989, 111, 16, 5983, https://doi.org/10.1021/ja00198a001
. [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]
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
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- Symbols used in this document:
EA Electron affinity IE (evaluated) Recommended ionization energy S°gas,1 bar Entropy of gas at standard conditions (1 bar) ΔfH°gas Enthalpy of formation of gas at standard conditions 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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