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Chlorine

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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
gas,1 bar53.3176 ± 0.0024cal/mol*KReviewCox, Wagman, et al., 1984CODATA Review value
gas,1 bar53.317cal/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 (cal/mol*K)
    H° = standard enthalpy (kcal/mol)
    S° = standard entropy (cal/mol*K)
    t = temperature (K) / 1000.

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View table.

Temperature (K) 298. - 1000.1000. - 3000.3000. - 6000.
A 7.89928310.20012-10.17053
B 2.922897-1.1973169.963122
C -2.8836290.455215-1.703354
D 1.048120-0.0395890.092696
E -0.038120-0.50154924.17400
F -2.589580-4.13236231.73136
G 61.9094264.4933163.28537
H 0.0000000.0000000.000000
ReferenceChase, 1998Chase, 1998Chase, 1998
Comment Data last reviewed in June, 1982 Data last reviewed in June, 1982 Data last reviewed in June, 1982

Phase change 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:
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny, director

Quantity Value Units Method Reference Comment
Tboil239.5KN/AThiele and Schulte, 1920Uncertainty assigned by TRC = 0.6 K; TRC
Quantity Value Units Method Reference Comment
Ttriple172.17 ± 0.05KN/AAngus, Armstrong, et al., 1984Uncertainty assigned by TRC = 0.05 K; TRC
Ttriple172.12KN/AGiauque and Powell, 1939Uncertainty assigned by TRC = 0.15 K; mean of 5 measurements with thermocouple and Pt res. therm., To = 273.10 K; TRC
Quantity Value Units Method Reference Comment
Ptriple0.01374 ± 0.00003atmN/AAngus, Armstrong, et al., 1984Uncertainty assigned by TRC = 0.00003 atm; TRC
Quantity Value Units Method Reference Comment
Tc416.956KN/AAngus, Armstrong, et al., 1984TRC
Tc416.9KN/AAmbrose, Hall, et al., 1979Uncertainty assigned by TRC = 0.5 K; TRC
Quantity Value Units Method Reference Comment
Pc78.869atmN/AAngus, Armstrong, et al., 1984TRC
Pc78.73atmN/AAmbrose, Hall, et al., 1979Uncertainty assigned by TRC = 0.49 atm; Visual, uncertain because of reactivity of element.; TRC
Quantity Value Units Method Reference Comment
rhoc8.1344mol/lN/AAngus, Armstrong, et al., 1984TRC

Antoine Equation Parameters

log10(P) = A − (B / (T + C))
    P = vapor pressure (atm)
    T = temperature (K)

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Temperature (K) A B C Reference Comment
155. - 239.43.0156530.591-64.639Stull, 1947Coefficents calculated by NIST from author's data.
239.4 - 400.34.28243969.992-12.791Stull, 1947Coefficents calculated by NIST from author's data.

In addition to the Thermodynamics Research Center (TRC) data available from this site, much more physical and chemical property data is available from the following TRC products:


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
M - Michael M. Meot-Ner (Mautner) and Sharon G. Lias

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

Chlorine anion + Chlorine = Cl3-

By formula: Cl- + Cl2 = Cl3-

Quantity Value Units Method Reference Comment
Deltar23.7 ± 1.2kcal/molCIDTNizzi, Pommerening, et al., 1998gas phase; B
Deltar16.70kcal/molTherRobbiani and Franklin, 1979gas phase; «DELTA»G~=+1 kcal for Cl- + SO2Cl2 <=> Cl3- + SO2; B
Deltar<43.60kcal/molPDisLee, Smith, et al., 1979gas phase; B

Tetrachloroethylene + Chlorine = Ethane, hexachloro-

By formula: C2Cl4 + Cl2 = C2Cl6

Quantity Value Units Method Reference Comment
Deltar-36.70 ± 0.60kcal/molCmKirkbride, 1956liquid phase; Reanalyzed by Cox and Pilcher, 1970, Original value = -37. kcal/mol; ALS

Chlorine anion + Chlorine = (Chlorine anion bullet Chlorine)

By formula: Cl- + Cl2 = (Cl- bullet Cl2)

Quantity Value Units Method Reference Comment
Deltar17.0kcal/molSAMSRobbiani and Franklin, 1979, 2gas phase; based on Cl- + SO2Cl2 <--> Cl3- + SO2; National Bureau of Standards, 1968; M

Cyclobutene, hexafluoro- + Chlorine = Cyclobutane, 1,2-dichloro-1,2,3,3,4,4-hexafluoro-

By formula: C4F6 + Cl2 = C4Cl2F6

Quantity Value Units Method Reference Comment
Deltar-37.38 ± 0.99kcal/molCmLacher, McKinley, et al., 1949gas phase; Heat of chlorination at 363 °K; ALS

Propene, hexafluoro- + Chlorine = 1,2-Dichlorohexafluoropropane

By formula: C3F6 + Cl2 = C3Cl2F6

Quantity Value Units Method Reference Comment
Deltar-47.15 ± 0.12kcal/molCmLacher, McKinley, et al., 1949gas phase; Heat of chlorination at 363 °K; ALS

Chlorine + Ethene, chlorotrifluoro- = Ethane, 1,1,2-trichloro-1,2,2-trifluoro-

By formula: Cl2 + C2ClF3 = C2Cl3F3

Quantity Value Units Method Reference Comment
Deltar-48.82 ± 0.48kcal/molCmLacher, McKinley, et al., 1949gas phase; Heat of Chlorination at 363 °K; ALS

Chlorine + Ethene, 1,1-dichloro-2,2-difluoro- = Ethane, 1,1,1,2-tetrachloro-2,2-difluoro-

By formula: Cl2 + C2Cl2F2 = C2Cl4F2

Quantity Value Units Method Reference Comment
Deltar-41.08 ± 0.56kcal/molCmLacher, McKinley, et al., 1949gas phase; Heat of chlorination at 363 °K; ALS

Ethene, tetrafluoro- + Chlorine = Ethane, 1,2-dichloro-1,1,2,2-tetrafluoro-

By formula: C2F4 + Cl2 = C2Cl2F4

Quantity Value Units Method Reference Comment
Deltar-57.32 ± 0.20kcal/molCmLacher, McKinley, et al., 1949, 2gas phase; Chlorination at 90 C; ALS

Ethane, 1,2-dichloro- + Chlorine = Hydrogen chloride + Ethane, 1,1,2-trichloro-

By formula: C2H4Cl2 + Cl2 = HCl + C2H3Cl3

Quantity Value Units Method Reference Comment
Deltar-27.8kcal/molCmKirkbride, 1956liquid phase; Heat of chlorination; ALS

Trichloromethane + Chlorine = Carbon Tetrachloride + Hydrogen chloride

By formula: CHCl3 + Cl2 = CCl4 + HCl

Quantity Value Units Method Reference Comment
Deltar-22.30kcal/molCmKirkbride, 1956liquid phase; Heat of chlorination; ALS

Ethylene + Chlorine = Ethane, 1,2-dichloro-

By formula: C2H4 + Cl2 = C2H4Cl2

Quantity Value Units Method Reference Comment
Deltar-43.65 ± 0.15kcal/molCmConn, Kistiakowsky, et al., 1938gas phase; At 355 °K; ALS

Ethylene, 1,2-dichloro-, (Z)- + Chlorine = Ethane, 1,1,2,2-tetrachloro-

By formula: C2H2Cl2 + Cl2 = C2H2Cl4

Quantity Value Units Method Reference Comment
Deltar-40.4kcal/molCmKirkbride, 1956liquid phase; Heat of chlorination; ALS

bromine chloride + Chlorotrifluoromethane = Bromotrifluoromethane + Chlorine

By formula: BrCl + CClF3 = CBrF3 + Cl2

Quantity Value Units Method Reference Comment
Deltar10.69 ± 0.15kcal/molEqkCoomber and Whittle, 1967gas phase; ALS

bromine chloride + Pentafluoroethyl chloride = C2BrF5 + Chlorine

By formula: BrCl + C2ClF5 = C2BrF5 + Cl2

Quantity Value Units Method Reference Comment
Deltar10.3 ± 0.6kcal/molEqkCoomber and Whittle, 1967gas phase; ALS

Ethylene, 1,2-dichloro-, (Z)- = Acetylene + Chlorine

By formula: C2H2Cl2 = C2H2 + Cl2

Quantity Value Units Method Reference Comment
Deltar5.1kcal/molKinLaursen and Pimentel, 1989gas phase; Photolyses; ALS

1-Butene, 1,1,2,3,3,4,4,4-octafluoro- + Chlorine = Butane, 1,2-dichlorooctafluoro-

By formula: C4F8 + Cl2 = C4Cl2F8

Quantity Value Units Method Reference Comment
Deltar-44.97 ± 0.31kcal/molCmLacher, Kianpour, et al., 1957gas phase; ALS

C5F10 + Chlorine = C5Cl2F10

By formula: C5F10 + Cl2 = C5Cl2F10

Quantity Value Units Method Reference Comment
Deltar-45.61 ± 0.40kcal/molCmLacher, Kianpour, et al., 1957, 2gas phase; ALS

Ethane, hexachloro- = Tetrachloroethylene + Chlorine

By formula: C2Cl6 = C2Cl4 + Cl2

Quantity Value Units Method Reference Comment
Deltar31.7 ± 1.0kcal/molEqkPuyo, Balesdent, et al., 1963gas phase; ALS

1,1,3,3,3-Pentafluoro-2-(trifluoromethyl)-1-propene + Chlorine = Propane, 1,2-dichloropentafluoro-2-(trifluoromethyl)-

By formula: C4F8 + Cl2 = C4Cl2F8

Quantity Value Units Method Reference Comment
Deltar-42.22 ± 0.51kcal/molCmLacher, Kianpour, et al., 1957, 2gas phase; ALS

Cyclohexane, chloro- + Hydrogen chloride = Cyclohexane + Chlorine

By formula: C6H11Cl + HCl = C6H12 + Cl2

Quantity Value Units Method Reference Comment
Deltar-34.20kcal/molCmKirkbride, 1956liquid phase; ALS

Benzene + Chlorine = Benzene, chloro- + Hydrogen chloride

By formula: C6H6 + Cl2 = C6H5Cl + HCl

Quantity Value Units Method Reference Comment
Deltar-32.0kcal/molCmKirkbride, 1956liquid phase; ALS

Chlorine + Trichloroethylene = Ethane, pentachloro-

By formula: Cl2 + C2HCl3 = C2HCl5

Quantity Value Units Method Reference Comment
Deltar-36.2kcal/molCmKirkbride, 1956liquid phase; ALS

Henry's Law 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 by: Rolf Sander

Henry's Law constant (water solution)

kH(T) = H exp(d(ln(kH))/d(1/T) ((1/T) - 1/(298.15 K)))
H = Henry's law constant for solubility in water at 298.15 K (mol/kg*bar)
d(ln(kH))/d(1/T) = Temperature dependence constant (K)

H (mol/kg*bar) d(ln(kH))/d(1/T) (K) Method Reference Comment
0.0952100.LN/A 
0.0932600.QN/AOnly the tabulated data between T = 273. K and T = 303. K from missing citation was used to derive kH and -«DELTA» kH/R. Above T = 303. K the tabulated data could not be parameterized by equation (reference missing) very well. The partial pressure of water vapor (needed to convert some Henry's law constants) was calculated using the formula given by missing citation. The quantities A and «alpha» from missing citation were assumed to be identical.
0.0612800.TN/A 
0.0852000.XN/A 
0.0912500.LN/A 
0.0623200.LN/A 

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 compiled as indicated in comments:
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
B - John E. Bartmess

View reactions leading to Cl2+ (ion structure unspecified)

Electron affinity determinations

EA (eV) Method Reference Comment
2.50 ± 0.20NBIEBowen, Liesegang, et al., 1983B
2.33004ECDAyala, Wentworth, et al., 1981Vertical Detachment Energy: 1.02 eV; B
2.40 ± 0.20NBIEDispert and Lacmann, 1977B
2.32 ± 0.10EndoHughes, Lifschitz, et al., 1973B
2.45 ± 0.15NBIEBaeda, 1972B
2.46 ± 0.14IMRBDunkin, Fehsenfeld, et al., 1972B
2.38 ± 0.10EndoChupka, Berkowitz, et al., 1971B
2.52 ± 0.17EIAEDeCorpo and Franklin, 1971From CCl4; B
1.020 ± 0.050NBIEHubers, Kleyn, et al., 1976Stated electron affinity is the Vertical Detachment Energy; B
3.20 ± 0.20NBIELacmann and Herschbach, 1970B

Ionization energy determinations

IE (eV) Method Reference Comment
11.481 ± 0.003TEYencha, Hopkirk, et al., 1995LL
11.480 ± 0.005PEVan Lonkhuyzen and De Lange, 1984LBLHLM
11.50EVALHuber and Herzberg, 1979LLK
11.51 ± 0.01PEPotts and Price, 1971LLK
11.48 ± 0.01PIDibeler, Walker, et al., 1971LLK
11.49PECornford, Frost, et al., 1971LLK
11.49PEAnderson, Mamantov, et al., 1971LLK
11.48 ± 0.01PIWatanabe, 1957RDSH
11.49PEDyke, Josland, et al., 1984Vertical value; LBLHLM
11.59PEKimura, Katsumata, et al., 1981Vertical value; LLK

Appearance energy determinations

Ion AE (eV) Other Products MethodReferenceComment
Cl+11.86 ± 0.04Cl-EIFrost and McDowell, 1959RDSH

Ion clustering data

Go To: Top, Gas phase thermochemistry data, Phase change data, Reaction thermochemistry data, Henry's Law data, Gas phase ion energetics data, Mass spectrum (electron ionization), Constants of diatomic molecules, 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:
M - Michael M. Meot-Ner (Mautner) and Sharon G. Lias
B - 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

Chlorine anion + Chlorine = (Chlorine anion bullet Chlorine)

By formula: Cl- + Cl2 = (Cl- bullet Cl2)

Quantity Value Units Method Reference Comment
Deltar17.0kcal/molSAMSRobbiani and Franklin, 1979, 2gas phase; based on Cl- + SO2Cl2 <--> Cl3- + SO2; National Bureau of Standards, 1968; M

Chlorine anion + Chlorine = Cl3-

By formula: Cl- + Cl2 = Cl3-

Quantity Value Units Method Reference Comment
Deltar23.7 ± 1.2kcal/molCIDTNizzi, Pommerening, et al., 1998gas phase; B
Deltar16.70kcal/molTherRobbiani and Franklin, 1979gas phase; «DELTA»G~=+1 kcal for Cl- + SO2Cl2 <=> Cl3- + SO2; B
Deltar<43.60kcal/molPDisLee, Smith, et al., 1979gas phase; B

Mass spectrum (electron ionization)

Go To: Top, Gas phase thermochemistry data, Phase change data, Reaction thermochemistry data, Henry's Law data, Gas phase ion energetics data, Ion clustering data, Constants of diatomic molecules, 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: NIST Mass Spectrometry Data Center, William E. Wallace, director

Spectrum

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Owner NIST Mass Spectrometry Data Center
Collection (C) 2014 copyright by the U.S. Secretary of Commerce
on behalf of the United States of America. All rights reserved.
Origin Crystal Harrison, SCOTT SPECIALTY GASES Inc., NJ
NIST MS number 245871

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Constants of diatomic molecules

Go To: Top, Gas phase thermochemistry data, Phase change data, Reaction thermochemistry data, Henry's Law data, Gas phase ion energetics data, Ion clustering data, Mass spectrum (electron ionization), 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: Klaus P. Huber and Gerhard H. Herzberg

Data collected through September, 1976

Symbols used in the table of constants
SymbolMeaning
State electronic state and / or symmetry symbol
Te minimum electronic energy (cm-1)
ωe vibrational constant – first term (cm-1)
ωexe vibrational constant – second term (cm-1)
ωeye vibrational constant – third term (cm-1)
Be rotational constant in equilibrium position (cm-1)
αe rotational constant – first term (cm-1)
γe rotation-vibration interaction constant (cm-1)
De centrifugal distortion constant (cm-1)
βe rotational constant – first term, centrifugal force (cm-1)
re internuclear distance (Å)
Trans. observed transition(s) corresponding to electronic state
ν00 position of 0-0 band (units noted in table)
Diatomic constants for 35Cl2
StateTeomegaeomegaexeomegaeyeBealphaegammaeDebetaereTrans.nu00
Rydberg series joining on to P: v(1-0) = 93200 - R / (n-0.54)2, n = 3...7; fragmentary vibrational structure.
Iczkowski, Margrave, et al., 1960
Fragments of additional band systems in absorption at v > 65000 cm-1.
Lee and Walsh, 1959; Iczkowski, Margrave, et al., 1960
Emission continua in the ultraviolet with maxima at 32640, 33810, 34700, 35450, 36220, 36820, 38970, 41140, 42500, 43710, 45500, 46610, 47670; 50060, 51850, 53890 cm-1. 1
Asundi and Venkateswarlu, 1947
P (74405) (621) (3)        P larrow X 74436
Lee and Walsh, 1959; Iczkowski, Margrave, et al., 1960
StateTeomegaeomegaexeomegaeyeBealphaegammaeDebetaereTrans.nu00
O     [0.1840] 2      O rarrow X R 74018.5 2 Z
missing citation
N     [0.1193] 2      N rarrow X R 73363.3 2 Z
missing citation
M (72853) (636) (4)        M larrow X 72891
Lee and Walsh, 1959
K (64024) (460)         K rarrow X 3 63975
Haranath and Rao, 1958
StateTeomegaeomegaexeomegaeyeBealphaegammaeDebetaereTrans.nu00
J (61638) (520) (3)        J larrow X 61618
Lee and Walsh, 1959
I 61438 262.3 H 0.812        I rarrow B V 43632 H
Khanna, 1959
H (59432) (510)         H larrow X 59408
Lee and Walsh, 1959
G (58629) (208)         G rarrow X 3 R 58454
Haranath and Rao, 1958
StateTeomegaeomegaexeomegaeyeBealphaegammaeDebetaereTrans.nu00
F (58263) (442)         F larrow X 58205
Lee and Walsh, 1959
E 57953 249.75 H 0.875        E lrarrow B R 40140.0 H
Venkateswarlu and Khanna, 1959; missing citation; Wieland, Tellinghuisen, et al., 1972
D (53568) (440) (1.5)        D larrow X 53508
Lee and Walsh, 1959
4           
Cordes and Sponer, 1930; Lee and Walsh, 1959
StateTeomegaeomegaexeomegaeyeBealphaegammaeDebetaereTrans.nu00
C 1Piu 5          C lrarrow X 6 
Gibson and Bayliss, 1933; Sulzer and Wieland, 1952; Jacobs and Giedt, 1965; Clyne and Stedman, 1968; Palmer and Carabetta, 1968
B 3Pi0+u 17809 259.5 7 H 5.3 8  0.16256 9 0.00212 -0.000091 2.365E-7 10  2.4354 B lrarrow X 11 12 R 17658 7 H
missing citation; missing citation; missing citation
A (3Pi1u) (17440) (265) H (5)        A rarrow X 11 13 
Coxon, 1973
A' (3Pi2u) (17160) 14 (280) 15         A' rarrow X 16 
Bondybey and Fletcher, 1976
StateTeomegaeomegaexeomegaeyeBealphaegammaeDebetaereTrans.nu00
X 1Sigmag+ 0 559.72 17 18 2.675 -0.0067 0.24399 17 0.00149 -0.0000017 1.86E-7  1.9879 19  
Winkel, Hunt, et al., 1969
Raman sp.
Holzer, Murphy, et al., 1970; Hochenbleicher and Schrotter, 1971; Hendra and Vear, 1972; Wallart, 1972; Edwards, Good, et al., 1976

Notes

1They have been interpreted Asundi and Venkateswarlu, 1947 as being due to transitions from stable excited states at 58000 (possibly F), 67700 and 75000 cm-1 to the repulsive states arising from 2P + 2P. The upper states at 67700 and 75000 cm-1 are considered to be 1g states and, therefore, are not observed in absorption from the ground state.
2Upper levels of four extensive resonance series Rao and Venkateswarlu, 1962, Douglas and Hoy, 1975. The v' values are uncertain. The resonance fluorescence spectrum is excited by the Cl I lines at 73983 and 73344 cm-1 in a discharge through Cl2 and involves transitions to ground state levels with v"leq59. The ground state dissociation energy derived from these resonance series Douglas and Hoy, 1975 agrees now very well with the more accurate value from the B-X system.
3These systems [called J-X and H-X by Haranath and Rao, 1958] have not been observed in absorption. For this reason Lee and Walsh, 1959 suggest that they may actually be due to Cl2+.
4Continuous absorption above ~52600 cm-1 at high pressure.
5Continuous absorption with maximum at 30500 cm-1.
6The angular distribution of photo-fragments confirms the assignment of the upper state of the continuum to 1Piu Busch, Mahoney, et al., 1969; see also Child and Bernstein, 1973 and Brith, Rowe, et al., 1975. The B larrow X transition, however, contributes to the weak low-frequency region of the continuum; for a discussion of quantitative data see Coxon, 1973.
7Since high resolution data Douglas, Moller, et al., 1963, Clyne and Coxon, 1970 are available only for vgeq5, the constants given here are from the low resolution emission work of Clyne and Coxon, 1967 (band heads); they are valid only for 0leqvleq6. For 6<v<22, Richards and Barrow, 1962 give omegae = 259.57, omegaexe = 4.753, omegaeye = -0.0677, omegaeze = +0.00212. The band origin of the 6-0 band is at 18993.79 cm-1.
8Convergence limit 20879.64 ± 0.14 cm-1 Le Roy, 1973, LeRoy, 1974. See LeRoy and Bernstein, 1971, Goscinski, 1972, LeRoy, 1972, Yee and Stone, 1973, LeRoy, 1974 and the review in Le Roy, 1973 for relation of high vibrational levels to long-range internuclear potential.
9These constants are based on bands with 5leqv'leq13 Clyne and Coxon, 1970. Bv values up to v=31 have been determined Douglas, Moller, et al., 1963, Clyne and Coxon, 1970.
10+0.225E-7(v+1/2) + 0.015E-7(v+1/2)2 See 9 .
11Estimated radiative lifetimes in Coxon, 1973.
12Franck-Condon factors from RKR potentia1s Coxon, 1971. For a discussion of the repulsive part of the potential see Child and Bernstein, 1973.
13Two weak progressions, not belonging to B-X and tentatively assigned as 1-v" and 2-v" with v" = 8,9,..., were observed in the chlorine atom recombination spectrum and in the spectrum of the nitrogen trichloride decomposition flame; see references in Coxon, 1973.
14Not observed in the gas phase (see 16); in an Ar matrix this new state is located 650 cm-1 below the B 3Pi0+u state.
15Estimated from isotope shifts.
16Long-lived (~76 ms in Ar) emission in rare gas matrices from v=0 of a new low-lying state following excitation into the B or C state; see Bondybey and Fletcher, 1976.
17These constants are based on the lowest six vibrational levels Clyne and Coxon, 1970. The following Dunham coefficients have been derived by Douglas and Hoy, 1975 from a detailed analysis at high resolution of the resonance series excited by the Cl I lines at 1351.7 and 1363.5 ; they represent all levels up to v=40: Y10 = 559.7507 Y01 = 0.244153 Y20 = -2.694271 Y11 = -0.0015163 Y30 = -3.32527E-3 Y21 = -3.9078E-6 Y40 = -2.27337E-4 Y31 = 7.0811E-8 Y50 = -3.92041E-6 Y41 = -5.5875E-9 Y60 = -6.02984E-8 Y02 = -1.9195E-7 Y00 = -0.0351 Y32 = -3.1678E-12 The same authors give, in addition, G(v) and Bv values up to v=59 and have determined an accurate RKR potential function. The long-range portion agrees very well with that predicted from theory.
18550.8 in liquid Cl2 Wallart, 1972; 554.6 in solid argon Ault, Howard, et al., 1975, Bondybey and Fletcher, 1976.
19Pressure induced IR absorption at 549 cm-1
20From the convergence limit in B 3Pi0+ (see 8). From the same limit Le Roy, 1973 gives D00 = 19997.l4 cm-1 or 2.479349 eV presumably by using a different value for the 2P1/2 - 2P3/2 energy difference in Cl I. Here we used 882.36 cm-1 from Radziemski and Kaufman, 1969.
21From the photoelectron spectrum; average of Cornford, Frost, et al., 1971 and Potts and Price, 1971. Photoionization Watanabe, Nakayama, et al., 1962, in agreement with the Rydberg series, yields 11.48 eV.

References

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

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Child and Bernstein, 1973
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Richards and Barrow, 1962
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Le Roy, 1973
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LeRoy, 1974
LeRoy, R.J., Long-range potential coefficients from RKR turning points: C6 and C8 for B(3«PI»0u+)-state Cl2, Br2, and I2, Can. J. Phys., 1974, 52, 246. [all data]

LeRoy and Bernstein, 1971
LeRoy, R.J.; Bernstein, R.B., Dissociation energies and long-range potentials of diatomic molecules from vibrational spacings: the halogens, J. Mol. Spectrosc., 1971, 37, 109. [all data]

Goscinski, 1972
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LeRoy, 1972
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Yee and Stone, 1973
Yee, K.K.; Stone, T.J., Analysis of RKR long-range potentials of the B3«PI»0u+ states of Br2 and Cl2, Mol. Phys., 1973, 26, 1169. [all data]

Coxon, 1971
Coxon, J.A., Franck-Condon factors and r-centroids for halogen molecules. I. The B3«PI»(0u+)-X1«SIGMA»g+ system of 35Cl2, J. Quant. Spectrosc. Radiat. Transfer, 1971, 11, 1355. [all data]

Ault, Howard, et al., 1975
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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, 4, 424-443. [all data]

Watanabe, Nakayama, et al., 1962
Watanabe, K.; Nakayama, T.; Mottl, J., Ionization potentials of some molecules, J. Quant. Spectry. Radiative Transfer, 1962, 2, 369. [all data]


Notes

Go To: Top, Gas phase thermochemistry data, Phase change data, Reaction thermochemistry data, Henry's Law data, Gas phase ion energetics data, Ion clustering data, Mass spectrum (electron ionization), Constants of diatomic molecules, NIST Free Links, References