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Chlorine atom

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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
Deltafgas121.301 ± 0.008kJ/molReviewCox, Wagman, et al., 1984CODATA Review value
Deltafgas121.30kJ/molReviewChase, 1998Data last reviewed in June, 1982
Quantity Value Units Method Reference Comment
gas,1 bar165.190 ± 0.004J/mol*KReviewCox, Wagman, et al., 1984CODATA Review value
gas,1 bar165.19J/mol*KReviewChase, 1998Data 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 (J/mol*K)
    H° = standard enthalpy (kJ/mol)
    S° = standard entropy (J/mol*K)
    t = temperature (K) / 1000.

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View table.

Temperature (K) 298. - 600.600. - 6000.
A 13.3829823.26597
B 42.33999-1.555939
C -64.746560.346910
D 32.99532-0.025961
E 0.0633190.153212
F 116.1491114.6604
G 171.7038193.8882
H 121.3021121.3021
ReferenceChase, 1998Chase, 1998
Comment Data last reviewed in June, 1982 Data last reviewed in June, 1982

Reaction thermochemistry data

Go To: Top, Gas phase thermochemistry data, Gas phase ion energetics data, Ion clustering data, NIST Free 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 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 bullet 4294967295Chlorine atom) + Chlorine atom = CAS Reg. No. 12599-09-6

By formula: (CAS Reg. No. 12599-09-6 bullet 4294967295Cl) + Cl = CAS Reg. No. 12599-09-6

Quantity Value Units Method Reference Comment
Deltar172. ± 7.1kJ/molCIDTLobring, Check, et al., 2005gas phase; Affinity is Cl.. POCl2-; B

CAS Reg. No. 666718-71-4 + Chlorine atom = Cl2PS-

By formula: CAS Reg. No. 666718-71-4 + Cl = Cl2PS-

Quantity Value Units Method Reference Comment
Deltar186. ± 5.9kJ/molCIDTLobring, Check, et al., 2005gas phase; Affinity is Cl.. ClPS-; B

Ethane, 1-chloro-2-iodo- = Iodine atom + Chlorine atom + Ethylene

By formula: C2H4ClI = I + Cl + C2H4

Quantity Value Units Method Reference Comment
Deltar320. ± 4.2kJ/molKinMinton, Felder, et al., 1984gas phase; ALS

C4BrClO4Re + Chlorine atom = C4BrClO4Re-

By formula: C4BrClO4Re + Cl = C4BrClO4Re-

Quantity Value Units Method Reference Comment
Deltar>331.4kJ/molIMRBJones, McDonald, et al., 1989gas phase; B

C4ClO4Re + Chlorine atom = C4Cl2O4Re-

By formula: C4ClO4Re + Cl = C4Cl2O4Re-

Quantity Value Units Method Reference Comment
Deltar>331.4kJ/molIMRBJones, McDonald, et al., 1989gas phase; B

C4BrIMnO4 + Chlorine atom = C4BrClMnO4-

By formula: C4BrIMnO4 + Cl = C4BrClMnO4-

Quantity Value Units Method Reference Comment
Deltar>294.1kJ/molIMRBJones, McDonald, et al., 1989gas phase; B

C4ClIMnO4 + Chlorine atom = C4Cl2MnO4-

By formula: C4ClIMnO4 + Cl = C4Cl2MnO4-

Quantity Value Units Method Reference Comment
Deltar>294.1kJ/molIMRBJones, McDonald, et al., 1989gas phase; B

C6H5O3Re + Chlorine atom = C6H5ClO3Re-

By formula: C6H5O3Re + Cl = C6H5ClO3Re-

Quantity Value Units Method Reference Comment
Deltar>346.4kJ/molIMRBJones, McDonald, et al., 1989gas phase; B

CAS Reg. No. 121175-69-7 + Chlorine atom = C6H5ClMnO3-

By formula: CAS Reg. No. 121175-69-7 + Cl = C6H5ClMnO3-

Quantity Value Units Method Reference Comment
Deltar>294.1kJ/molIMRBJones, McDonald, et al., 1989gas phase; B

C5CrO5- + Chlorine atom = C5ClCrO5-

By formula: C5CrO5- + Cl = C5ClCrO5-

Quantity Value Units Method Reference Comment
Deltar>331.4kJ/molIMRBJones, McDonald, et al., 1989gas phase; B

C3NiO3- + Chlorine atom = C3ClNiO3-

By formula: C3NiO3- + Cl = C3ClNiO3-

Quantity Value Units Method Reference Comment
Deltar>331.4kJ/molIMRBJones, McDonald, et al., 1989gas phase; B

C4FeO4- + Chlorine atom = C4ClFeO4-

By formula: C4FeO4- + Cl = C4ClFeO4-

Quantity Value Units Method Reference Comment
Deltar>294.1kJ/molIMRBJones, McDonald, et al., 1989gas phase; B

Gas phase ion energetics data

Go To: Top, Gas phase thermochemistry data, Reaction thermochemistry data, Ion clustering data, NIST Free Links, 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)12.96764eVN/AN/AL
Quantity Value Units Method Reference Comment
Proton affinity (review)513.6kJ/molN/AHunter and Lias, 1998HL
Quantity Value Units Method Reference Comment
Gas basicity490.1kJ/molN/AHunter and Lias, 1998HL

Electron affinity determinations

EA (eV) Method Reference Comment
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) Method Reference Comment
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

Quantity Value Units Method Reference Comment
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
Quantity Value Units Method Reference Comment
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

Ion clustering data

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

C3NiO3- + Chlorine atom = C3ClNiO3-

By formula: C3NiO3- + Cl = C3ClNiO3-

Quantity Value Units Method Reference Comment
Deltar>331.4kJ/molIMRBJones, McDonald, et al., 1989gas phase

C4FeO4- + Chlorine atom = C4ClFeO4-

By formula: C4FeO4- + Cl = C4ClFeO4-

Quantity Value Units Method Reference Comment
Deltar>294.1kJ/molIMRBJones, McDonald, et al., 1989gas phase

C5CrO5- + Chlorine atom = C5ClCrO5-

By formula: C5CrO5- + Cl = C5ClCrO5-

Quantity Value Units Method Reference Comment
Deltar>331.4kJ/molIMRBJones, McDonald, et al., 1989gas phase

References

Go To: Top, Gas phase thermochemistry data, Reaction thermochemistry data, Gas phase ion energetics data, Ion clustering data, NIST Free 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

Go To: Top, Gas phase thermochemistry data, Reaction thermochemistry data, Gas phase ion energetics data, Ion clustering data, NIST Free Links, References