Chlorine
- Formula: Cl2
- Molecular weight: 70.906
- IUPAC Standard InChIKey: KZBUYRJDOAKODT-UHFFFAOYSA-N
- CAS Registry Number: 7782-50-5
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
The 3d structure may be viewed using Java or Javascript. - Other names: Cl2; Bertholite; Chloor; Chlor; Chlore; Chlorine mol.; Cloro; Molecular chlorine; UN 1017; Diatomic chlorine
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Gas phase thermochemistry data
Go To: Top, Reaction thermochemistry data, Gas phase ion energetics data, Ion clustering data, Mass spectrum (electron ionization), Constants of diatomic molecules, References, Notes
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 |
---|---|---|---|---|---|
S°gas,1 bar | 53.3176 ± 0.0024 | cal/mol*K | Review | Cox, Wagman, et al., 1984 | CODATA Review value |
S°gas,1 bar | 53.317 | 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 1000. | 1000. to 3000. | 3000. to 6000. |
---|---|---|---|
A | 7.899283 | 10.20012 | -10.17053 |
B | 2.922897 | -1.197316 | 9.963122 |
C | -2.883629 | 0.455215 | -1.703354 |
D | 1.048120 | -0.039589 | 0.092696 |
E | -0.038120 | -0.501549 | 24.17400 |
F | -2.589580 | -4.132362 | 31.73136 |
G | 61.90942 | 64.49331 | 63.28537 |
H | 0.000000 | 0.000000 | 0.000000 |
Reference | Chase, 1998 | Chase, 1998 | Chase, 1998 |
Comment | Data last reviewed in June, 1982 | 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, Mass spectrum (electron ionization), Constants of diatomic molecules, 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
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
+ = Cl3-
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 23.7 ± 1.2 | kcal/mol | CIDT | Nizzi, Pommerening, et al., 1998 | gas phase; B |
ΔrH° | 16.70 | kcal/mol | Ther | Robbiani and Franklin, 1979 | gas phase; ΔG≈+1 kcal for Cl- + SO2Cl2 <=> Cl3- + SO2; B |
ΔrH° | <43.60 | kcal/mol | PDis | Lee, Smith, et al., 1979 | gas phase; B |
By formula: C2Cl4 + Cl2 = C2Cl6
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -36.70 ± 0.60 | kcal/mol | Cm | Kirkbride, 1956 | liquid phase; Reanalyzed by Cox and Pilcher, 1970, Original value = -37. kcal/mol; ALS |
By formula: Cl- + Cl2 = (Cl- • Cl2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 17.0 | kcal/mol | SAMS | Robbiani and Franklin, 1979, 2 | gas phase; based on Cl- + SO2Cl2 <--> Cl3- + SO2; National Bureau of Standards, 1968; M |
By formula: C4F6 + Cl2 = C4Cl2F6
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -37.38 ± 0.99 | kcal/mol | Cm | Lacher, McKinley, et al., 1949 | gas phase; Heat of chlorination at 363 °K; ALS |
By formula: C3F6 + Cl2 = C3Cl2F6
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -47.15 ± 0.12 | kcal/mol | Cm | Lacher, McKinley, et al., 1949 | gas phase; Heat of chlorination at 363 °K; ALS |
By formula: Cl2 + C2ClF3 = C2Cl3F3
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -48.82 ± 0.48 | kcal/mol | Cm | Lacher, McKinley, et al., 1949 | gas phase; Heat of Chlorination at 363 °K; ALS |
By formula: Cl2 + C2Cl2F2 = C2Cl4F2
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -41.08 ± 0.56 | kcal/mol | Cm | Lacher, McKinley, et al., 1949 | gas phase; Heat of chlorination at 363 °K; ALS |
By formula: C2F4 + Cl2 = C2Cl2F4
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -57.32 ± 0.20 | kcal/mol | Cm | Lacher, McKinley, et al., 1949, 2 | gas phase; Chlorination at 90 C; ALS |
By formula: C2H4Cl2 + Cl2 = HCl + C2H3Cl3
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -27.8 | kcal/mol | Cm | Kirkbride, 1956 | liquid phase; Heat of chlorination; ALS |
By formula: CHCl3 + Cl2 = CCl4 + HCl
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -22.30 | kcal/mol | Cm | Kirkbride, 1956 | liquid phase; Heat of chlorination; ALS |
By formula: C2H4 + Cl2 = C2H4Cl2
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -43.65 ± 0.15 | kcal/mol | Cm | Conn, Kistiakowsky, et al., 1938 | gas phase; At 355 °K; ALS |
By formula: C2H2Cl2 + Cl2 = C2H2Cl4
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -40.4 | kcal/mol | Cm | Kirkbride, 1956 | liquid phase; Heat of chlorination; ALS |
By formula: BrCl + CClF3 = CBrF3 + Cl2
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 10.69 ± 0.15 | kcal/mol | Eqk | Coomber and Whittle, 1967 | gas phase; ALS |
+ = C2BrF5 +
By formula: BrCl + C2ClF5 = C2BrF5 + Cl2
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 10.3 ± 0.6 | kcal/mol | Eqk | Coomber and Whittle, 1967 | gas phase; ALS |
By formula: C2H2Cl2 = C2H2 + Cl2
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 5.1 | kcal/mol | Kin | Laursen and Pimentel, 1989 | gas phase; Photolyses; ALS |
By formula: C4F8 + Cl2 = C4Cl2F8
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -44.97 ± 0.31 | kcal/mol | Cm | Lacher, Kianpour, et al., 1957 | gas phase; ALS |
By formula: C5F10 + Cl2 = C5Cl2F10
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -45.61 ± 0.40 | kcal/mol | Cm | Lacher, Kianpour, et al., 1957, 2 | gas phase; ALS |
By formula: C2Cl6 = C2Cl4 + Cl2
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 31.7 ± 1.0 | kcal/mol | Eqk | Puyo, Balesdent, et al., 1963 | gas phase; ALS |
By formula: C4F8 + Cl2 = C4Cl2F8
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -42.22 ± 0.51 | kcal/mol | Cm | Lacher, Kianpour, et al., 1957, 2 | gas phase; ALS |
By formula: C6H11Cl + HCl = C6H12 + Cl2
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -34.20 | kcal/mol | Cm | Kirkbride, 1956 | liquid phase; ALS |
By formula: C6H6 + Cl2 = C6H5Cl + HCl
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -32.0 | kcal/mol | Cm | Kirkbride, 1956 | liquid phase; ALS |
By formula: Cl2 + C2HCl3 = C2HCl5
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -36.2 | kcal/mol | Cm | Kirkbride, 1956 | liquid phase; ALS |
Gas phase ion energetics data
Go To: Top, Gas phase thermochemistry data, Reaction thermochemistry data, Ion clustering data, Mass spectrum (electron ionization), Constants of diatomic molecules, 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:
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 ± 0.20 | NBIE | Bowen, Liesegang, et al., 1983 | B |
2.33004 | ECD | Ayala, Wentworth, et al., 1981 | Vertical Detachment Energy: 1.02 eV; B |
2.40 ± 0.20 | NBIE | Dispert and Lacmann, 1977 | B |
2.32 ± 0.10 | Endo | Hughes, Lifschitz, et al., 1973 | B |
2.45 ± 0.15 | NBIE | Baeda, 1972 | B |
2.46 ± 0.14 | IMRB | Dunkin, Fehsenfeld, et al., 1972 | B |
2.38 ± 0.10 | Endo | Chupka, Berkowitz, et al., 1971 | B |
2.52 ± 0.17 | EIAE | DeCorpo and Franklin, 1971 | From CCl4; B |
1.020 ± 0.050 | NBIE | Hubers, Kleyn, et al., 1976 | Stated electron affinity is the Vertical Detachment Energy; B |
3.20 ± 0.20 | NBIE | Lacmann and Herschbach, 1970 | B |
Ionization energy determinations
IE (eV) | Method | Reference | Comment |
---|---|---|---|
11.481 ± 0.003 | TE | Yencha, Hopkirk, et al., 1995 | LL |
11.480 ± 0.005 | PE | Van Lonkhuyzen and De Lange, 1984 | LBLHLM |
11.50 | EVAL | Huber and Herzberg, 1979 | LLK |
11.51 ± 0.01 | PE | Potts and Price, 1971 | LLK |
11.48 ± 0.01 | PI | Dibeler, Walker, et al., 1971 | LLK |
11.49 | PE | Cornford, Frost, et al., 1971 | LLK |
11.49 | PE | Anderson, Mamantov, et al., 1971 | LLK |
11.48 ± 0.01 | PI | Watanabe, 1957 | RDSH |
11.49 | PE | Dyke, Josland, et al., 1984 | Vertical value; LBLHLM |
11.59 | PE | Kimura, Katsumata, et al., 1981 | Vertical value; LLK |
Appearance energy determinations
Ion | AE (eV) | Other Products | Method | Reference | Comment |
---|---|---|---|---|---|
Cl+ | 11.86 ± 0.04 | Cl- | EI | Frost and McDowell, 1959 | RDSH |
Ion clustering data
Go To: Top, Gas phase thermochemistry data, Reaction thermochemistry data, Gas phase ion energetics data, Mass spectrum (electron ionization), Constants of diatomic molecules, 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
By formula: Cl- + Cl2 = (Cl- • Cl2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 17.0 | kcal/mol | SAMS | Robbiani and Franklin, 1979, 2 | gas phase; based on Cl- + SO2Cl2 <--> Cl3- + SO2; National Bureau of Standards, 1968; M |
+ = Cl3-
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 23.7 ± 1.2 | kcal/mol | CIDT | Nizzi, Pommerening, et al., 1998 | gas phase; B |
ΔrH° | 16.70 | kcal/mol | Ther | Robbiani and Franklin, 1979 | gas phase; ΔG≈+1 kcal for Cl- + SO2Cl2 <=> Cl3- + SO2; B |
ΔrH° | <43.60 | kcal/mol | PDis | Lee, Smith, et al., 1979 | gas phase; B |
Mass spectrum (electron ionization)
Go To: Top, Gas phase thermochemistry data, Reaction thermochemistry data, Gas phase ion energetics data, Ion clustering data, Constants of diatomic molecules, 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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Additional Data
View image of digitized spectrum (can be printed in landscape orientation).
Due to licensing restrictions, this spectrum cannot be downloaded.
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 |
Constants of diatomic molecules
Go To: Top, Gas phase thermochemistry data, Reaction thermochemistry data, Gas phase ion energetics data, Ion clustering data, Mass spectrum (electron ionization), 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
Symbol | Meaning |
---|---|
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) |
State | Te | ωe | ωexe | ωeye | Be | αe | γe | De | βe | re | Trans. | ν00 |
---|---|---|---|---|---|---|---|---|---|---|---|---|
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 ← X | 74436 | |||||||
↳Lee and Walsh, 1959; Iczkowski, Margrave, et al., 1960 | ||||||||||||
State | Te | ωe | ωexe | ωeye | Be | αe | γe | De | βe | re | Trans. | ν00 |
O | [0.1840] 2 | O → X R | 74018.5 2 Z | |||||||||
↳missing citation | ||||||||||||
N | [0.1193] 2 | N → X R | 73363.3 2 Z | |||||||||
↳missing citation | ||||||||||||
M | (72853) | (636) | (4) | M ← X | 72891 | |||||||
↳Lee and Walsh, 1959 | ||||||||||||
K | (64024) | (460) | K → X 3 | 63975 | ||||||||
↳Haranath and Rao, 1958 | ||||||||||||
State | Te | ωe | ωexe | ωeye | Be | αe | γe | De | βe | re | Trans. | ν00 |
J | (61638) | (520) | (3) | J ← X | 61618 | |||||||
↳Lee and Walsh, 1959 | ||||||||||||
I | 61438 | 262.3 H | 0.812 | I → B V | 43632 H | |||||||
↳Khanna, 1959 | ||||||||||||
H | (59432) | (510) | H ← X | 59408 | ||||||||
↳Lee and Walsh, 1959 | ||||||||||||
G | (58629) | (208) | G → X 3 R | 58454 | ||||||||
↳Haranath and Rao, 1958 | ||||||||||||
State | Te | ωe | ωexe | ωeye | Be | αe | γe | De | βe | re | Trans. | ν00 |
F | (58263) | (442) | F ← X | 58205 | ||||||||
↳Lee and Walsh, 1959 | ||||||||||||
E | 57953 | 249.75 H | 0.875 | E ↔ B R | 40140.0 H | |||||||
↳Venkateswarlu and Khanna, 1959; missing citation; Wieland, Tellinghuisen, et al., 1972 | ||||||||||||
D | (53568) | (440) | (1.5) | D ← X | 53508 | |||||||
↳Lee and Walsh, 1959 | ||||||||||||
4 | ||||||||||||
↳Cordes and Sponer, 1930; Lee and Walsh, 1959 | ||||||||||||
State | Te | ωe | ωexe | ωeye | Be | αe | γe | De | βe | re | Trans. | ν00 |
C 1Πu | 5 | C ↔ X 6 | ||||||||||
↳Gibson and Bayliss, 1933; Sulzer and Wieland, 1952; Jacobs and Giedt, 1965; Clyne and Stedman, 1968; Palmer and Carabetta, 1968 | ||||||||||||
B 3Π0+u | 17809 | 259.5 7 H | 5.3 8 | 0.16256 9 | 0.00212 | -0.000091 | 2.365E-7 10 | 2.4354 | B ↔ X 11 12 R | 17658 7 H | ||
↳missing citation; missing citation; missing citation | ||||||||||||
A (3Π1u) | (17440) | (265) H | (5) | A → X 11 13 | ||||||||
↳Coxon, 1973 | ||||||||||||
A' (3Π2u) | (17160) 14 | (280) 15 | A' → X 16 | |||||||||
↳Bondybey and Fletcher, 1976 | ||||||||||||
State | Te | ωe | ωexe | ωeye | Be | αe | γe | De | βe | re | Trans. | ν00 |
X 1Σg+ | 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
1 | They 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. |
2 | Upper 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"≤59. 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. |
3 | These 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+. |
4 | Continuous absorption above ~52600 cm-1 at high pressure. |
5 | Continuous absorption with maximum at 30500 cm-1. |
6 | The angular distribution of photo-fragments confirms the assignment of the upper state of the continuum to 1Πu Busch, Mahoney, et al., 1969; see also Child and Bernstein, 1973 and Brith, Rowe, et al., 1975. The B ← X transition, however, contributes to the weak low-frequency region of the continuum; for a discussion of quantitative data see Coxon, 1973. |
7 | Since high resolution data Douglas, Moller, et al., 1963, Clyne and Coxon, 1970 are available only for v≥5, the constants given here are from the low resolution emission work of Clyne and Coxon, 1967 (band heads); they are valid only for 0≤v≤6. For 6<v<22, Richards and Barrow, 1962 give ωe = 259.57, ωexe = 4.753, ωeye = -0.0677, ωeze = +0.00212. The band origin of the 6-0 band is at 18993.79 cm-1. |
8 | Convergence 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. |
9 | These constants are based on bands with 5≤v'≤13 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 . |
11 | Estimated radiative lifetimes in Coxon, 1973. |
12 | Franck-Condon factors from RKR potentia1s Coxon, 1971. For a discussion of the repulsive part of the potential see Child and Bernstein, 1973. |
13 | Two 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. |
14 | Not observed in the gas phase (see 16); in an Ar matrix this new state is located 650 cm-1 below the B 3Π0+u state. |
15 | Estimated from isotope shifts. |
16 | Long-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. |
17 | These 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. |
18 | 550.8 in liquid Cl2 Wallart, 1972; 554.6 in solid argon Ault, Howard, et al., 1975, Bondybey and Fletcher, 1976. |
19 | Pressure induced IR absorption at 549 cm-1 |
20 | From the convergence limit in B 3Π0+ (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. |
21 | From 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
Go To: Top, Gas phase thermochemistry data, Reaction thermochemistry data, Gas phase ion energetics data, Ion clustering data, Mass spectrum (electron ionization), Constants of diatomic molecules, 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]
Nizzi, Pommerening, et al., 1998
Nizzi, K.E.; Pommerening, C.A.; Sunderlin, L.S.,
Gas-phase thermochemistry of polyhalide anions,
J. Phys. Chem. A, 1998, 102, 39, 7674-7679, https://doi.org/10.1021/jp9824508
. [all data]
Robbiani and Franklin, 1979
Robbiani, R.; Franklin, J.L.,
Formation of the trihalide ion Cl3- in the gas phase,
J. Am. Chem. Soc., 1979, 101, 764. [all data]
Lee, Smith, et al., 1979
Lee, L.C.; Smith, G.P.; Moseley, J.T.; Cosby, P.C.; Guest, J.A.,
Photodissociation and photodetachment of Cl2-, ClO-, Cl3-, and BrCl2-,
J. Chem. Phys., 1979, 70, 3237. [all data]
Kirkbride, 1956
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The adiabatic electron affinities of Cl2, Br2, I2, IBr, NO2, and O2,
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Thermal energy rate constants for the reactions NO2- + Cl2 → Cl2-, Cl2- + NO2 Ü Cl-, HS- + NO2 Ü NO2-, HS- + Cl2 Ü Cl2-, and S- + NO2 Ü NO2-,
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Ion pair formation in alkali-halogen collisions at high velocities,
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Collisional Excitation and Ionization of K Atoms by Diatomic Molecules: Role of Ion-pair States,
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Ionization potentials of some molecules,
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The vacuum ultra-violet absorption spectra of the halogen molecules,
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Chapt. 4. Low-lying electronic states of diatomic halogen molecules
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The pure rotational laser Raman spectrum of chlorine,
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Study of vibrational hot bands by Raman spectroscopy - application to chlorine and bromine chloride,
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The resonance fluorescence spectrum of Cl2 in the vacuum ultraviolet,
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Brith, Rowe, et al., 1975
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The magnetic circular dichroism spectrum of the halogen molecules I2, Br2, Cl2. Resolution of overlapping continua,
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The visible band absorption spectrum of chlorine,
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The formation and detection of some low-lying excited electronic states of BrCl and other halogens,
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Chapt. 3. Energy levels of a diatomic near dissociation
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Long-range potential coefficients from RKR turning points: C6 and C8 for B(3Π0u+)-state Cl2, Br2, and I2,
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Dissociation energies and long-range potentials of diatomic molecules from vibrational spacings: the halogens,
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Goscinski, 1972
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Outer vibrational turning points near dissociation in the B(3Π0u+) state of Br2 and Cl2,
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Dependence of the diatomic rotational constant Bv on the long-range internuclear potential,
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Yee, K.K.; Stone, T.J.,
Analysis of RKR long-range potentials of the B3Π0u+ states of Br2 and Cl2,
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Coxon, 1971
Coxon, J.A.,
Franck-Condon factors and r-centroids for halogen molecules. I. The B3Π(0u+)-X1Σg+ system of 35Cl2,
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Radziemski and Kaufman, 1969
Radziemski, L.J., Jr.; Kaufman, V.,
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Watanabe, Nakayama, et al., 1962
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Ionization potentials of some molecules,
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Notes
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