Monochlorine monoxide

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°gas24.192kcal/molReviewChase, 1998Data last reviewed in December, 1992
Quantity Value Units Method Reference Comment
S°gas,1 bar54.171cal/mol*KReviewChase, 1998Data last reviewed in December, 1992

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. to 600.600. to 6000.
A 4.4736318.842371
B 14.120400.178913
C -17.64410-0.016138
D 8.2605690.001251
E 0.018271-0.188245
F 22.4314020.97330
G 56.1880063.91850
H 24.1919024.19190
ReferenceChase, 1998Chase, 1998
Comment Data last reviewed in December, 1992 Data last reviewed in December, 1992

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 by: John E. Bartmess

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. 80424-04-0 • 4294967295Monochlorine monoxide) + Monochlorine monoxide = CAS Reg. No. 80424-04-0

By formula: (CAS Reg. No. 80424-04-0 • 4294967295ClO) + ClO = CAS Reg. No. 80424-04-0

Quantity Value Units Method Reference Comment
ΔrH°74.5 ± 1.4kcal/molN/ADistelrath and Boesl, 2000gas phase; Reassignment of bands from Gilles, Polak, et al., 1992
ΔrH°79.9 ± 1.4kcal/molTherGilles, Polak, et al., 1992gas phase

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:
L - Sharon G. Lias

Data compiled as indicated in comments:
LL - Sharon G. Lias and Joel F. Liebman
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 ClO+ (ion structure unspecified)

Quantity Value Units Method Reference Comment
IE (evaluated)10.89 ± 0.02eVN/AN/AL

Electron affinity determinations

EA (eV) Method Reference Comment
2.2775 ± 0.0013ZEKEDistelrath and Boesl, 2000B
2.2760 ± 0.0060LPESGilles, Polak, et al., 1992B
2.35 ± 0.15EIAEBaluev, Nikitin, et al., 1980From Cl2O; B
2.17 ± 0.23LPDLee, Smith, et al., 1979B
1.95 ± 0.25IMRBDotan, Albritton, et al., 1978B
>1.62 ± 0.22R-AVogt, Dreves, et al., 1977Cl- + O2 ->.; B

Ionization energy determinations

IE (eV) Method Reference Comment
10.885 ± 0.016PIThorn, Stief, et al., 1996LL
11.08 ± 0.05EIAlekseev, Zyubina, et al., 1989LL
11.0EVALHuber and Herzberg, 1979LLK
10.95PEBulgin, Dyke, et al., 1979LLK
11.1 ± 0.1EIFisher, 1967RDSH
11.01 ± 0.01PEBulgin, Dyke, et al., 1979Vertical value; LLK

Constants of diatomic molecules

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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: 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 35Cl16O
StateTeωeωexeωeyeBeαeγeDeβereTrans.ν00
Several unclassified absorption bands in the region 67000 - 79000 cm-1.
↳Basco and Morse, 1973
H (74125) (1025) H         H ← X V 74212 H
↳Basco and Morse, 1973
G (2Π) 73913 1075 H 10        G ← X V 73705 H
↳missing citation
73878 1075 H 10        G ← X V 73986 H
↳missing citation
StateTeωeωexeωeyeBeαeγeDeβereTrans.ν00
F (2Σ) 69109 [1001] 1 H         F ← X V 68869 H
↳missing citation
69109 [1001] 1 H         F ← X V 69181 H
↳missing citation
E (2Σ) 67333 1070 H 4        E ← X V 67120 H
↳missing citation
67333 1070 H 4        E ← X V 67445 H
↳missing citation
StateTeωeωexeωeyeBeαeγeDeβereTrans.ν00
D (2Σ) 64486 1050 H 2        D ← X V 64269 H
↳missing citation
64486 1050 H 2        D ← X V 64582 H
↳missing citation
C (2Σ) 58448 1062 H 3        C ← X V 58234 H
↳missing citation
58448 1062 H 3        C ← X V 58554 H
↳missing citation
StateTeωeωexeωeyeBeαeγeDeβereTrans.ν00
A 2Πi 32169 519.5 Z 7.2 2 -0.11 0.4450 3 0.006 0.000024 [1.31E-6]  1.858 A ↔ X R 31682.9 4 Z
↳Pannetier and Gaydon, 1948; Porter, 1950; missing citation; missing citation; missing citation; missing citation
31650 519.5 Z 7.2 2 -0.11 0.4450 3 0.006 0.000024 [1.31E-6]  1.858 A ↔ X R 31482.3 4 Z
↳Pannetier and Gaydon, 1948; Porter, 1950; missing citation; missing citation; missing citation; missing citation
X 2Πi 318 5 853.8 6 Z 5.5 -0.02 0.623448 7 0.0058 0.000016 [1.33E-6]  1.56963 8  
↳Andrews and Raymond, 1971; Chi and Andrews, 1973
0 853.8 6 Z 5.5 -0.02 0.623448 7 0.0058 0.000016 [1.33E-6]  1.56963 9  
↳Amano, Hirota, et al., 1968; Amano, Saito, et al., 1969
EPR sp. 10
↳Carrington, Dyer, et al., 1967; Carrington, Levy, et al., 1967; Uehara and Morino, 1970; Uehara, Tanimoto, et al., 1971

Notes

1ΔG(3/2) = 950, ΔG(5/2) = 980.
2see 3
3In absorption observed to v'=25 of 2Π3/2 [Bv, Dv values in Coxon and Ramsay, 1976, Coxon, Jones, et al., 1976] close to the dissociation limit at 38052 cm-1 above X 2Π3/2(v=0). The constants are for levels with v≤9. All absorption and emission bands are diffuse on account of predissociation. Linewidths in different bands vary from 0.3 to 3.1 cm-1 and are >5 cm-1 in v'=6 Coxon and Ramsay, 1976.
4Note that there have been several changes of vibrational numbering [see, e.g., Briggs, 1972]; here we have used that of Coxon and Ramsay, 1976 and Coxon, Jones, et al., 1976.
5From the VUV absorption spectrum Basco and Morse, 1973; confirmed by EPR spectrum Carrington, Dyer, et al., 1967, Uehara, Tanimoto, et al., 1971.
6missing note
7From combined microwave and ultraviolet data; the microwave values of Amano, Saito, et al., 1969 are B0(2Π3/2) = 0.6l9773 and B0(2Π1/2) = 0.621231. Λ-type doubling in the 2Π1/2 component, Δvfe = +0.02249(J+1/2).
8Matrix IR and Raman sp.
9Microwave sp. 10
10Dipole moment from Stark effect of microwave spectrum μel(v=0) = 1.239 D Amano, Saito, et al., 1969, from Stark effect of EPR spectrum 1.18D Carrington, Levy, et al., 1967. eqQ and other hyperfine structure constants in Amano, Saito, et al., 1969, Uehara, Tanimoto, et al., 1971
11From the convergence limit of the A ← X, 2Π3/2 ← 2Π3/2 subbands Coxon and Ramsay, 1976 assuming dissociation into 2P3/2 + 1D
12Mass-spectrometric studies and theoretical calculations; see O'Hare and Wahl, 1971.
13The effective we values for 2Π1/2 and 2Π3/2 are 853.0 and 854.9 cm-1, respectively Coxon, Jones, et al., 1976.
14Indirectly from thermochemical data and mass-spectrometric studies; also theoretical calculations; see O'Hare and Wahl, 1971.

References

Go To: Top, Gas phase thermochemistry data, Reaction thermochemistry data, Gas phase ion energetics data, Constants of diatomic molecules, 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.

Chase, 1998
Chase, M.W., Jr., NIST-JANAF Themochemical Tables, Fourth Edition, J. Phys. Chem. Ref. Data, Monograph 9, 1998, 1-1951. [all data]

Distelrath and Boesl, 2000
Distelrath, V.; Boesl, U., Mass selective gas phase study of ClO, OClO, ClOO and ClAr by anion-ZEKE-photoelectron spectroscopy, Faraday Disc. Chem. Soc., 2000, 115, 161-174, https://doi.org/10.1039/a909618c . [all data]

Gilles, Polak, et al., 1992
Gilles, M.K.; Polak, M.L.; Lineberger, W.C., Photoelectron Spectroscopy of the Halogen Oxide Anions FO-, ClO-, BrO-, IO-, OClO-, and OIO-, J. Chem. Phys., 1992, 96, 11, 8012, https://doi.org/10.1063/1.462352 . [all data]

Baluev, Nikitin, et al., 1980
Baluev, A.V.; Nikitin, I.M.; Fedorova, L.I.; Rossolovskii, V.Ya., Mass Spectrometric Study of Chlorine Pentafluoride Ionization by Electron Impact, Izv. Akad. Nauk SSR Ser. Khim. 487, 1980. [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]

Dotan, Albritton, et al., 1978
Dotan, I.; Albritton, D.L.; Fehsenfeld, F.C.; Streit, G.E.; Ferguson, E.E., Rate constants for the reactions of O-, O2-, NO2-, CO3-, and CO4- with HCl and ClO- with NO, NO2, SO2, and CO2 at 300K, J. Chem. Phys., 1978, 68, 5414. [all data]

Vogt, Dreves, et al., 1977
Vogt, D.; Dreves, W.; Mischke, J., Energy dependence of differential cross sections in endoergic ion-molecule collision processes of negative ions, Int. J. Mass Spectrom. Ion Phys., 1977, 24, 285. [all data]

Thorn, Stief, et al., 1996
Thorn, R.P., Jr.; Stief, L.J.; Kuo, S.-C.; Klemm, R.B., Ionization energy of Cl2O and ClO, appearance energy of ClO+(Cl2O), and heat of formation of Cl2O, J. Phys. Chem., 1996, 100, 14178. [all data]

Alekseev, Zyubina, et al., 1989
Alekseev, V.I.; Zyubina, T.S.; Zyubin, A.S.; Baluev, A.V., Mass-spectrometric and quantum-chemical investigation of thermochemical characteristics of chlorine oxides, J. Am. Chem. Soc., 1989, 2092. [all data]

Huber and Herzberg, 1979
Huber, K.P.; Herzberg, G., Molecular Spectra and Molecular Structure. IV. Constants of Diatomic Molecules,, Van Nostrand Reinhold Co., 1979, ,1. [all data]

Bulgin, Dyke, et al., 1979
Bulgin, D.K.; Dyke, J.M.; Jonathan, N.; Morris, A., Vacuum ultraviolet photoelectron spectroscopy of transient species, J. Chem. Soc. Faraday Trans. 2, 1979, 75, 456. [all data]

Fisher, 1967
Fisher, I.P., Mass spectrometry study of intermediates in thermal decomposition of perchloric acid and chlorine dioxide, J. Chem. Soc. Faraday Trans., 1967, 63, 684. [all data]

Basco and Morse, 1973
Basco, N.; Morse, R.D., The vacuum ultraviolet absorption spectrum of ClO, J. Mol. Spectrosc., 1973, 45, 35. [all data]

Pannetier and Gaydon, 1948
Pannetier, G.; Gaydon, A.G., Band spectrum of ClO in flames, Nature (London), 1948, 161, 242. [all data]

Porter, 1950
Porter, G., The absorption spectroscopy of substances of short life, Discuss. Faraday Soc., 1950, 9, 60, https://doi.org/10.1039/df9500900060 . [all data]

Andrews and Raymond, 1971
Andrews, L.; Raymond, J.I., Argon matrix infrared spectrum of the ClO radical, J. Chem. Phys., 1971, 55, 3087. [all data]

Chi and Andrews, 1973
Chi, F.K.; Andrews, L., Argon matrix Raman spectra of dichlorine monoxide and its photolysis products monochlorine monoxide and chlorine-monochlorine monoxide. Infrared matrix spectra of monochlorine monoxide and dimeric monochlorine monoxide, J. Phys. Chem., 1973, 77, 26, 3062, https://doi.org/10.1021/j100644a007 . [all data]

Amano, Hirota, et al., 1968
Amano, T.; Hirota, E.; Morino, Y., Microwave spectrum of the ClO radical, J. Mol. Spectrosc., 1968, 27, 257. [all data]

Amano, Saito, et al., 1969
Amano, T.; Saito, S.; Hirota, E.; Morino, Y., Microwave spectrum of the ClO radical, J. Mol. Spectrosc., 1969, 30, 275. [all data]

Carrington, Dyer, et al., 1967
Carrington, A.; Dyer, P.N.; Levy, D.H., Gas-phase electron resonance spectrum of ClO, J. Chem. Phys., 1967, 47, 1756. [all data]

Carrington, Levy, et al., 1967
Carrington, A.; Levy, D.H.; Miller, T.A., Stark effect in gas-phase electron resonance. The dipole moments of ClO, BrO, SH, and 1ΔSO, J. Chem. Phys., 1967, 47, 3801. [all data]

Uehara and Morino, 1970
Uehara, H.; Morino, Y., Gas-phase EPR spectra of rotationally excited states of SH and ClO free radicals, J. Mol. Spectrosc., 1970, 36, 158. [all data]

Uehara, Tanimoto, et al., 1971
Uehara, H.; Tanimoto, M.; Morino, Y., Hyperfine interactions in the gas-phase E.P.R. spectra of 35ClO (2Π3/2) in the J=5/2 and J=3/2 levels, Mol. Phys., 1971, 22, 799. [all data]

Coxon and Ramsay, 1976
Coxon, J.A.; Ramsay, D.A., The A2Πi-X2Πi band system of ClO: reinvestigation of the absorption spectrum, Can. J. Phys., 1976, 54, 1034. [all data]

Coxon, Jones, et al., 1976
Coxon, J.A.; Jones, W.E.; Skolnik, E.G., Rotational analysis of emission bands of the A2Πi-X2Πi system of 35ClO, Can. J. Phys., 1976, 54, 1043. [all data]

Briggs, 1972
Briggs, A.G., Vibrational reassignments in the A2Π-X2Π system of ClO, Nature (London), 1972, 239, 13. [all data]

O'Hare and Wahl, 1971
O'Hare, P.A.G.; Wahl, A.C., Dissociation energy, ionization potential, electron affinity, dipole and quadrupole moments of chlorine monoxide (ClO,2Π) from ab initio molecular orbital calculations, J. Chem. Phys., 1971, 54, 3770. [all data]

Notes

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