Iodine monochloride
- Formula: ClI
- Molecular weight: 162.357
- IUPAC Standard InChI: InChI=1S/ClI/c1-2
- IUPAC Standard InChIKey: QZRGKCOWNLSUDK-UHFFFAOYSA-N
- CAS Registry Number: 7790-99-0
- Chemical structure:
This structure is also available as a 2d Mol file - Species with the same structure:
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Reaction thermochemistry data
Go To: Top, 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
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
+
= (
•
)
By formula: F- + ClI = (F- • ClI)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 94.40 | kcal/mol | Ther | Finch, Gates, et al., 1977 | gas phase; This value is far more strongly bound than expected from other X3- data; B |
| ΔrH° | 43.30 | kcal/mol | N/A | Check, Faust, et al., 2001 | gas phase; FeH2-(q); ; ΔS(EA)=8.2; B |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 33.00 | kcal/mol | N/A | Check, Faust, et al., 2001 | gas phase; FeH2-(q); ; ΔS(EA)=8.2; B |
+
=
+
By formula: I2 + CClF3 = CF3I + ClI
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 17.27 ± 0.26 | kcal/mol | Eqk | Lord, Goy, et al., 1967 | gas phase; Reanalyzed by Cox and Pilcher, 1970, Original value = 17.10 ± 0.17 kcal/mol; ALS |
Constants of diatomic molecules
Go To: Top, Reaction thermochemistry data, 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 January, 1977
| 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 |
|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Fragments of many Rydberg series in the absorption spectrum above 60000 cm-1 have been observed and tabulated by Venkateswarlu, 1975; see also Donovan and Robertson, 1972. The intensities in these series are most irregular, possibly because of perturbations by valence states in this region. The Rydberg series are believed to converge to two limits at 81362 and 85996 cm-1 corresponding to the 2Π3/2 and 2Π1/2, v=0 components of the ground state of ICl+. | ||||||||||||
| ↳missing citation | ||||||||||||
| L | 71006 | [420] H 1 | L ← X V | 71024 | ||||||||
| ↳missing citation; missing citation | ||||||||||||
| G | 66484 | [421] H 2 | G ← X V | 66503 H | ||||||||
| ↳missing citation; missing citation | ||||||||||||
| Extensive system of absorption bands in the region 60250 - 63300 cm-1, not yet analyzed. | ||||||||||||
| ↳Venkateswarlu, 1975 | ||||||||||||
| State | Te | ωe | ωexe | ωeye | Be | αe | γe | De | βe | re | Trans. | ν00 |
| F | 58167 | [445] H 3 | F ↔ X V | 58198 H | ||||||||
| ↳Cordes and Sponer, 1932; Haranath and Rao, 1957; missing citation; missing citation | ||||||||||||
| E | 53477 | [434] H 4 | E ↔ X V | 53502 H | ||||||||
| ↳Cordes and Sponer, 1932; Haranath and Rao, 1957; missing citation; missing citation | ||||||||||||
| Continuous absorption with maximum at 41600 cm-1. | ||||||||||||
| ↳Seery and Britton, 1964 | ||||||||||||
| D | 37585 | 173.2 H | 1.1 5 | D → A 6 R | 23824 H | |||||||
| ↳missing citation | ||||||||||||
| 7 | ||||||||||||
| ↳Asundi and Venkateswarlu, 1947 | ||||||||||||
| 8 | ||||||||||||
| ↳Seery and Britton, 1964 | ||||||||||||
| State | Te | ωe | ωexe | ωeye | Be | αe | γe | De | βe | re | Trans. | ν00 |
| B' 0+ | (18157) | [32] 9 | B' ← X R | 17981 H | ||||||||
| ↳Brown and Gibson, 1932 | ||||||||||||
| B 3Π0+ | 17363.1 | 221.1 10 Z | 9.62 | 0.0872 10 11 | 0.0017 | (10E-8) | 2.66 | B ← X 12 R | 17279.5 10 Z | |||
| ↳Brown and Gibson, 1932; Hulthen, Jarlsater, et al., 1961 | ||||||||||||
| A 3Π1 | 13742 | 212.3 13 H | 2.39 14 | -0.012 | 0.084832 15 | (5.4E-8) | 2.6923 | A ↔ X 16 17 R | 13656 13 H | |||
| ↳missing citation; Hulthen, Johansson, et al., 1958; Hulthen, Jarlsater, et al., 1961; missing citation | ||||||||||||
| X 1Σ+ | 0 | 384.293 Z | 1.501 | 0.1141587 18 | 0.0005354 | (4.03E-8) | 2.320878 19 | |||||
| ↳Brooks and Crawford, 1955 | ||||||||||||
| Raman sp. 20 | ||||||||||||
| ↳Holzer, Murphy, et al., 1970 | ||||||||||||
| Microwave sp. 21 | ||||||||||||
| ↳Townes, Merritt, et al., 1948; Herbst and Steinmetz, 1972 | ||||||||||||
Notes
| 1 | Strong progression, F ← X of Donovan and Husain, 1968, n5 of Venkateswarlu, 1975. |
| 2 | Strong progression, E ← X of Donovan and Husain, 1968, g5 of Venkateswarlu, 1975. |
| 3 | Extensive band system, formerly D - X, b6 of Venkateswarlu, 1975. |
| 4 | Extensive band system, formerly C - X, a6 of Venkateswarlu, 1975. |
| 5 | Extensive band system. |
| 6 | Constants of Haranath and Rao, 1957, for the lower state (ω"e= 209.7, ω"ex"e = 1.9), are not in agreement with the work of Clyne and Coxon, 1967 and Cummings and Klemperer, 1974 concerning the A 3Π1 state; see Clyne and Coxon, 1967. This system was also observed in fluorescence following two-step laser excitation D←A←X Barnes, Moeller, et al., 1974. (Note that νe given by Haranath and Rao, 1957 does not match their observed ν00.) |
| 7 | Diffuse emission bands between 18700 and 21700 cm-1. |
| 8 | Continuous absorption with maximum at 21000 cm-1. 24 |
| 9 | Potential well arising from the avoided crossing of the "original" B 3Π0+ curve going to I (2P3/2) + Cl (2P1/2) and the repulsive 0+ curve coming from unexcited atoms; see also Child and Bernstein, 1973. 25 |
| 10 | Extrapolated from data with v'= 1,2,3. |
| 11 | v'=4 is strongly predissociated and gives rise to broad, diffuse absorption bands; no higher levels are observed. At high resolution Olson and Innes, 1976 even v'=3 shows appreciable broadening of the individual lines which rapidly increases above J'=37 and is presumably caused by predissociation into the 0+ state arising from 2P3/2 + 2P3/2; see B' 0+. The non-radiative lifetime varies from ~0.2 ns at low J to 0.02 ns at J=42 Olson and Innes, 1976. |
| 12 | The f value is estimated to be (f= 0.0026) Olson and Innes, 1976 corresponding to a radiative lifetime of τ= 1 μs Olson and Innes, 1976. |
| 13 | Vibrational constants from Clyne and Coxon, 1967, whose measurements of the I + Cl chemiluminescence spectrum include bands with v'= 1...18. Cummings and Klemperer, 1974, extrapolating from the data (zero lines) of Hulthen, Jarlsater, et al., 1961 for 3 ≤ v' ≤ 19, ν00 = 13655.23 Cummings and Klemperer, 1974. Earlier, from band origins with 7≤v'≤19, Hulthen, Jarlsater, et al., 1961, derived ωe = 209.111 Hulthen, Jarlsater, et al., 1961, ωexe = 1.886 Hulthen, Jarlsater, et al., 1961, ωeye = -0.03558 Hulthen, Jarlsater, et al., 1961, ν00 = 13660.29 Hulthen, Jarlsater, et al., 1961. See 14. |
| 14 | Clyne and Coxon, 1967. Tv values for 38 levels (v≥3) are listed in Hulthen, Jarlsater, et al., 1961. There is a strong vibrational perturbation above v=34, but the last few levels are again regular and converge to 17366.0 cm-1. |
| 15 | Be = B0 = 0.084583, 3≤v≤19 Cummings and Klemperer, 1974, B1 = 0.083995, 3≤v≤19 Cummings and Klemperer, 1974, B2 = 0.083308, 3≤v≤19 Cummings and Klemperer, 1974, have been extrapo1ated by Cummings and Klemperer, 1974, from the Bv values of Hulthen, Jarlsater, et al., 1961 for 3≤v≤19. Bv values up to v=40 are tabulated in Hulthen, Jarlsater, et al., 1961. The Λ-type doubling constant q [~B(R,P)-B(Q)] increases from +1.32E-5 for v=10 to +11.0E-5 for v=27, but the doubling becomes irregular at higher v values Hulthen, Jarlsater, et al., 1961. The dipole moment in A 3Π1 varies from 2.00 D at v=7 to 0.6 D at v=27 Cummings and Klemperer, 1974; sign opposite to that in X 1Σ+. RKR potential curve Coxon, 1973. |
| 16 | Fluorescence lifetimes of 110 and 76 μs have been measured. Holleman and Steinfeld, 1971 following laser excitation at 6068 and 5922 Å, respectively. |
| 17 | Magnetic rotation spectrum Eberhardt, Cheng, et al., 1959; its intensity drops sharply above v'=28. See also Stalder and Eberhardt, 1967. Laser induced fluorescence series in argon matrix Wight, Ault, et al., 1975. |
| 18 | From the microwave spectrum Herbst and Steinmetz, 1972; in excellent agreement with the much earlier values from the electronic spectrum Curtis and Patkowski, 1934. |
| 19 | Infrared sp. 21 |
| 20 | Resonance Raman spectrum in argon matrix Wight, Ault, et al., 1975. |
| 21 | μel(v=0) 1.24 D Herbst and Steinmetz, 1972; dipole derivative 2.1 D/Å Brooks and Crawford, 1955. Electric quadrupole coupling constants for I and Cl in Herbst and Steinmetz, 1972, also iodine spin-rotation constant. |
| 22 | From the convergence limit of A 3Π1, see 14. |
| 23 | Average value obtained by photoelectron spectroscopy Potts and Price, 1971, Cornford, 1971 and photoion mass- spectrometry Dibeler, Walker, et al., 1971. |
| 24 | At least partly due to B←X; see the discussion in Coxon, 1973. |
| 25 | There are fragments of fairly sharp branches at places corresponding to extrapolated levels of B 3Π0+. |
References
Go To: Top, Reaction thermochemistry data, 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.
Finch, Gates, et al., 1977
Finch, A.; Gates, P.N.; Peake, S.J.,
Thermochemistry of polyhalides. III. Cesium and rubidium tetrachloroiodates,
J. Inorg. Nucl. Chem., 1977, 39, 2135. [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]
Lord, Goy, et al., 1967
Lord, A.; Goy, C.A.; Pritchard, H.O.,
The heats of formation of trifluoromethyl chloride and bromide,
J. Phys. Chem., 1967, 71, 2705-2707. [all data]
Cox and Pilcher, 1970
Cox, J.D.; Pilcher, G.,
Thermochemistry of Organic and Organometallic Compounds, Academic Press, New York, 1970, 1-636. [all data]
Venkateswarlu, 1975
Venkateswarlu, P.,
The vacuum ultraviolet spectrum of ICl,
Can. J. Phys., 1975, 53, 812. [all data]
Donovan and Robertson, 1972
Donovan, R.J.; Robertson, P.J.,
Vacuum ultraviolet spectrum of ICl,
Spectrosc. Lett., 1972, 5, 281. [all data]
Cordes and Sponer, 1932
Cordes, H.; Sponer, H.,
Die molekulabsorption der gemischten halogenmolekule im vakuumultraviolett. II. Mitteilung,
Z. Phys., 1932, 79, 170. [all data]
Haranath and Rao, 1957
Haranath, P.B.V.; Rao, P.T.,
Emission spectra of mixed halogens. Part I: ICl,
Indian J. Phys., 1957, 31, 156. [all data]
Seery and Britton, 1964
Seery, D.J.; Britton, D.,
The continuous absorption spectra of chlorine, bromine, bromine chloride, iodine chloride, and iodine bromide,
J. Phys. Chem., 1964, 68, 2263. [all data]
Asundi and Venkateswarlu, 1947
Asundi, R.K.; Venkateswarlu, P.,
On continous emission bands of ICl and IBr,
Indian J. Phys., 1947, 21, 76-82. [all data]
Brown and Gibson, 1932
Brown, W.G.; Gibson, G.E.,
Predissociation in the spectrum of iodine chloride,
Phys. Rev., 1932, 40, 529. [all data]
Hulthen, Jarlsater, et al., 1961
Hulthen, E.; Jarlsater, N.; Koffman, L.,
On the absorption spectrum of ICl. Part II. Chlorine isotopes in iodine chloride,
Ark. Fys., 1961, 18, 479. [all data]
Hulthen, Johansson, et al., 1958
Hulthen, E.; Johansson, N.; Pilsater, U.,
On the absorption spectrum of ICl. Part I,
Ark. Fys., 1958, 14, 31. [all data]
Brooks and Crawford, 1955
Brooks, W.V.F.; Crawford, B., Jr.,
Vibrational intensities. V. BrCl and ICl,
J. Chem. Phys., 1955, 23, 363. [all data]
Holzer, Murphy, et al., 1970
Holzer, W.; Murphy, W.F.; Bernstein, H.J.,
Resonance Raman effect and resonance fluoroscence in halogen gases,
J. Chem. Phys., 1970, 52, 399. [all data]
Townes, Merritt, et al., 1948
Townes, C.H.; Merritt, F.R.; Wright, B.D.,
The pure rotational spectrum of ICl,
Phys. Rev., 1948, 73, 1334. [all data]
Herbst and Steinmetz, 1972
Herbst, E.; Steinmetz, W.,
Dipole moment of ICl,
J. Chem. Phys., 1972, 56, 5342. [all data]
Donovan and Husain, 1968
Donovan, R.J.; Husain, D.,
Photochemical studies of IBr, ICl and BrCl by kinetic spectroscopy in the vacuum ultra-violet,
Trans. Faraday Soc., 1968, 64, 2325. [all data]
Clyne and Coxon, 1967
Clyne, M.A.A.; Coxon, J.A.,
The formation and detection of some low-lying excited electronic states of BrCl and other halogens,
Proc. R. Soc. London A, 1967, 298, 424. [all data]
Cummings and Klemperer, 1974
Cummings, F.E.; Klemperer, W.,
Vibrational dependence of the dipole moment in the A3Π1 state of ICl,
J. Chem. Phys., 1974, 60, 2035. [all data]
Barnes, Moeller, et al., 1974
Barnes, R.H.; Moeller, C.E.; Kircher, J.F.; Verber, C.M.,
Two-step excitation of fluorescence in iodine monochloride vapor,
Appl. Phys. Lett., 1974, 24, 610. [all data]
Child and Bernstein, 1973
Child, M.S.; Bernstein, R.B.,
Diatomic interhalogens: systematics and implications of spectroscopic interatomic potentials and curve crossings,
J. Chem. Phys., 1973, 59, 5916. [all data]
Olson and Innes, 1976
Olson, C.D.; Innes, K.K.,
Single-rotational-level lifetimes from measurements of linewidths in the B3Πo+ ← X1Σ+ system of ICl,
J. Chem. Phys., 1976, 64, 2405. [all data]
Coxon, 1973
Coxon, J.A.,
Chapt. 4. Low-lying electronic states of diatomic halogen molecules
in Molecular Spectroscopy. Volume 1, Barrow,R.F.; Long,D.A.; Millen,D.J., ed(s)., The Chemical Society, Burlington House, London, W1V 0BN, 1973, 177-228. [all data]
Holleman and Steinfeld, 1971
Holleman, G.W.; Steinfeld, J.I.,
Time-resolved fluorescence of iodine monochloride,
Chem. Phys. Lett., 1971, 12, 431. [all data]
Eberhardt, Cheng, et al., 1959
Eberhardt, W.H.; Cheng, W.-C.; Renner, H.,
The magnetic rotation spectrum of ICl and IBr,
J. Mol. Spectrosc., 1959, 3, 664. [all data]
Stalder and Eberhardt, 1967
Stalder, A.F.; Eberhardt, W.H.,
Magnetically induced circular dichroism and birefringence in single lines of the electronic spectrum of ICl,
J. Chem. Phys., 1967, 47, 1445. [all data]
Wight, Ault, et al., 1975
Wight, C.A.; Ault, B.S.; Andrews, L.,
Laser-induced fluorescence and resonance Raman spectra of interhalogen diatomics isolated in inert matrices at 12 K,
J. Mol. Spectrosc., 1975, 56, 239. [all data]
Curtis and Patkowski, 1934
Curtis, W.E.; Patkowski, J.,
XI. Rotational analysis of the absorption bands of ICl,
Philos. Trans. R. Soc. London A, 1934, 232, 395. [all data]
Potts and Price, 1971
Potts, A.W.; Price, W.C.,
Photoelectron spectra of the halogens and mixed halides ICI and lBr,
J. Chem. Soc. Faraday Trans., 1971, 67, 1242. [all data]
Cornford, 1971
Cornford,
Thesis, University of British Columbia, 1971, 0. [all data]
Dibeler, Walker, et al., 1971
Dibeler, V.H.; Walker, J.A.; McCulloh, K.E.; Rosenstock, H.M.,
Effect of hot bands on the ionization threshold of some diatomic halogen molecules,
Intern. J. Mass Spectrom. Ion Phys., 1971, 7, 209. [all data]
Notes
Go To: Top, Reaction thermochemistry data, Constants of diatomic molecules, References
- Symbols used in this document:
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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