caesium chloride
- Formula: ClCs
- Molecular weight: 168.358
- IUPAC Standard InChI: InChI=1S/ClH.Cs/h1H;/q;+1/p-1
- IUPAC Standard InChIKey: AIYUHDOJVYHVIT-UHFFFAOYSA-M
- CAS Registry Number: 7647-17-8
- 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: Cesium chloride
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Gas phase thermochemistry data
Go To: Top, Condensed phase thermochemistry data, Gas phase ion energetics data, Constants of diatomic molecules, NIST Free Links, NIST Subscription Links, 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 |
|---|---|---|---|---|---|
| ΔfH°gas | -57.400 | kcal/mol | Review | Chase, 1998 | Data last reviewed in June, 1968 |
| Quantity | Value | Units | Method | Reference | Comment |
| S°gas,1 bar | 61.202 | cal/mol*K | Review | Chase, 1998 | Data last reviewed in June, 1968 |
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) | 3000. to 6000. |
|---|---|
| A | 8.938851 |
| B | 0.188514 |
| C | -0.000814 |
| D | 0.000070 |
| E | -0.014579 |
| F | -60.12249 |
| G | 71.88150 |
| H | -57.40019 |
| Reference | Chase, 1998 |
| Comment | Data last reviewed in June, 1968 |
Condensed 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°liquid | -103.84 | kcal/mol | Review | Chase, 1998 | Data last reviewed in June, 1968 |
| Quantity | Value | Units | Method | Reference | Comment |
| S°liquid,1 bar | 24.309 | cal/mol*K | Review | Chase, 1998 | Data last reviewed in June, 1968 |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔfH°solid | -105.84 | kcal/mol | Review | Chase, 1998 | Data last reviewed in June, 1968 |
| Quantity | Value | Units | Method | Reference | Comment |
| S°solid | 24.183 | cal/mol*K | Review | Chase, 1998 | Data last reviewed in June, 1968 |
Liquid 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) | 918. to 3000. |
|---|---|
| A | 18.50000 |
| B | -6.350581×10-11 |
| C | 3.544941×10-11 |
| D | -6.139090×10-12 |
| E | -1.857461×10-12 |
| F | -109.3560 |
| G | 46.69689 |
| H | -103.8400 |
| Reference | Chase, 1998 |
| Comment | Data last reviewed in June, 1968 |
Solid 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 743. | 743. to 918. |
|---|---|---|
| A | 10.61950 | 14.54640 |
| B | 6.652500 | 0.730741 |
| C | -1.972620 | 0.271368 |
| D | 0.948517 | -0.051622 |
| E | 0.007110 | -0.037685 |
| F | -109.2630 | -109.9370 |
| G | 35.17051 | 41.42510 |
| H | -105.8400 | -105.8400 |
| Reference | Chase, 1998 | Chase, 1998 |
| Comment | Data last reviewed in June, 1968 | Data last reviewed in June, 1968 |
Gas phase ion energetics data
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Constants of diatomic molecules, NIST Free Links, NIST Subscription 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:
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
Electron affinity determinations
| EA (eV) | Method | Reference | Comment |
|---|---|---|---|
| 0.46 ± 0.10 | LPES | Miller, Leopold, et al., 1986 | B |
Ionization energy determinations
| IE (eV) | Method | Reference | Comment |
|---|---|---|---|
| 7.4 | PE | Benson, Novak, et al., 1987 | LBLHLM |
| 8.8 | EI | Williams, 1982 | LBLHLM |
| 8.3 ± 0.1 | PE | Potts and Price, 1977 | LLK |
| 8.3 ± 0.1 | PE | Potts, Williams, et al., 1974 | LLK |
| 7.84 ± 0.05 | PE | Berkowitz, Dehmer, et al., 1973 | LLK |
| 8.3 ± 0.3 | EI | Bloom, Hastie, et al., 1968 | RDSH |
| 8.7 ± 0.1 | PE | Timoshenko and Akopyan, 1974 | Vertical value; LLK |
| 8.5 | PE | Goodman, Allen, et al., 1974 | Vertical value; LLK |
Appearance energy determinations
| Ion | AE (eV) | Other Products | Method | Reference | Comment |
|---|---|---|---|---|---|
| Cs+ | 8.47 ± 0.07 | Cl | PI | Berkowitz, 1969 | RDSH |
| Cs+ | 17.46 ± 0.04 | Cl(-) | PE | Potts and Price, 1977 | Vertical value; LLK |
| Cs+ | 18.86 ± 0.04 | Cl(-) | PE | Potts and Price, 1977 | Vertical 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 November, 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 |
|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Strong auotionization peaks 1 at and above 12.4 eV in photoionization Berkowitz, 1969 and electron energy loss spectra Geiger and Pfeiffer, 1968. | ||||||||||||
| ↳Geiger and Pfeiffer, 1968; Berkowitz, 1969 | ||||||||||||
| Absorption continua with maxima at 51500 and 40500 cm-1 Schmidt-Ott, 1931, Barrow and Caunt, 1953, Davidovits and Brodhead, 1967, followed by diffuse absorption bands (Fluctuation b.) from 40850 to 29840 cm-1 Barrow and Caunt, 1953. The chemiluminescence spectrum Oldenborg, Gole, et al., 1974 consists of a long lower-state progression and extends from 29400 to 20800 cm-1. see note d of CsBr. | ||||||||||||
| ↳Schmidt-Ott, 1931; Barrow and Caunt, 1953; Davidovits and Brodhead, 1967; Oldenborg, Gole, et al., 1974 | ||||||||||||
| X 1Σ+ | 0 | 214.17 2 | 0.731 2 | 0.07209149 | 0.00033756 3 | 3.2675E-08 4 | 3.8E-11 | 2.906272 5 | ||||
| ↳Rice and Klemperer, 1957 | ||||||||||||
| Mirowave sp. 6 | ||||||||||||
| ↳Honig, Stitch, et al., 1953; Clouser and Gordy, 1964; Miller, Finney, et al., 1973; Honerjager and Tischer, 1974 | ||||||||||||
| Mol. beam el. reson. 7 | ||||||||||||
| ↳Luce and Trischka, 1951; Trischka, 1956; Hebert, Lovas, et al., 1968 | ||||||||||||
| Mol. beam magn. reson. | ||||||||||||
| ↳Mehran, Brooks, et al., 1966 | ||||||||||||
Notes
| 1 | Interpretation analogous to CsBr (see 1 ) |
| 2 | Calculated from the rotational constants Honerjager and Tischer, 1974. Good agreement with the less precise values from the infrared spectrum Rice and Klemperer, 1957. |
| 3 | αv= +3.42E-7(v+1/2)2 + 1.8E-9(v+1/2)3 Honerjager and Tischer, 1974. |
| 4 | also higher order constants Honerjager and Tischer, 1974. |
| 5 | IR sp. |
| 6 | eqQ(35Cl) = +[l.830 - 0.118(v+1/2)] MHz, |eqQ(133Cs)| ≤ 1.1 MHz Hoeft, Tiemann, et al., 1972. gJ = -[0.02815 - 0.00031(v+1/2)] μN Honerjager and Tischer, 1973; see, however, Mehran, Brooks, et al., 1966 who give gJ = (-)0.0212 Mehran, Brooks, et al., 1966. |
| 7 | μel = [10.358 + 0.058(v+1/2)] D Hebert, Lovas, et al., 1968. |
| 8 | Thermochemical value Brewer and Brackett, 1961, confirmed by the photoionization data of Berkowitz, 1969. See also Bulewicz, Phillips, et al., 1961, Scheer and Fine, 1962. |
| 9 | Onset of a broad band in the photoelectron spectrum, maximum (vertical I.P.) at 8.75 eV Potts, Williams, et al., 1974. The photo-electron spectrum was also investigated by Berkowitz, Dehmer, et al., 1973 who find 7.84 and 8.54 eV, respectively. |
References
Go To: Top, Gas phase thermochemistry data, Condensed phase 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]
Miller, Leopold, et al., 1986
Miller, T.M.; Leopold, D.G.; Murray, K.K.; Lineberger, W.C.,
Electron Affinities of the Alkali Halides and the Structure of their Negative Ions,
J. Chem. Phys., 1986, 85, 5, 2368, https://doi.org/10.1063/1.451091
. [all data]
Benson, Novak, et al., 1987
Benson, J.M.; Novak, I.; Potts, A.W.,
Photoelectron spectroscopy of the caesium halides using synchrotron radiation,
J. Phys. B:, 1987, 20, 6257. [all data]
Williams, 1982
Williams, D.J.,
Mass spectrometric study of the vaporization of the alkali chloride-cuprous chloride systems,
Aust. J. Chem., 1982, 35, 1531. [all data]
Potts and Price, 1977
Potts, A.W.; Price, W.C.,
Photoelectron studies of ionic materials using molecular beam techniques,
Phys. Scr., 1977, 16, 191. [all data]
Potts, Williams, et al., 1974
Potts, A.W.; Williams, T.A.; Price, W.C.,
Photoelectron spectra and electronic structure of diatomic alkali halides,
Proc. Roy. Soc. London A, 1974, 341, 147. [all data]
Berkowitz, Dehmer, et al., 1973
Berkowitz, J.; Dehmer, J.L.; Walker, T.E.H.,
PES of high-temperature vapors. IV. The cesium halides. Effect of spin-orbit interaction on the photoelectron and mass spectra of the alkali halides,
J. Chem. Phys., 1973, 59, 3645. [all data]
Bloom, Hastie, et al., 1968
Bloom, H.; Hastie, J.W.; Morrison, J.D.,
Ionization and dissociation of the alkali halides by electron impact,
J. Phys. Chem., 1968, 72, 3041. [all data]
Timoshenko and Akopyan, 1974
Timoshenko, M.M.; Akopyan, M.E.,
Photoelectron spectra of cesium halides,
High Energy Chem., 1974, 8, 175, In original 211. [all data]
Goodman, Allen, et al., 1974
Goodman, T.D.; Allen, J.D., Jr.; Cusachs, L.C.; Schweitzer, G.K.,
The photoelectron spectra of gaseous alkali halides,
J. Electron Spectrosc. Relat. Phenom., 1974, 3, 289. [all data]
Berkowitz, 1969
Berkowitz, J.,
Photoionization of high-temperature vapors. V. Cesium halides; chemical shift of autoionization,
J. Chem. Phys., 1969, 50, 3503. [all data]
Geiger and Pfeiffer, 1968
Geiger, J.; Pfeiffer, H.-C.,
Untersuchung der Anregung innerer Elektronen von Alkalihalogenidmolekulen im Energieverlustspektrum von 25 keV-Elektronen,
Z. Phys., 1968, 208, 105. [all data]
Schmidt-Ott, 1931
Schmidt-Ott, H.D.,
Uber kontinuierliche absorptionsspektra der gasformigen alkalihalogenide im ultraviolett,
Z. Phys., 1931, 69, 724. [all data]
Barrow and Caunt, 1953
Barrow, R.F.; Caunt, A.D.,
The ultra-violet absorption spectra of some gaseous alkali-metal halides and the dissociation energy of fluorine,
Proc. R. Soc. London A, 1953, 219, 120. [all data]
Davidovits and Brodhead, 1967
Davidovits, P.; Brodhead, D.C.,
Ultraviolet absorption cross sections for the alkali halide vapors,
J. Chem. Phys., 1967, 46, 2968. [all data]
Oldenborg, Gole, et al., 1974
Oldenborg, R.C.; Gole, J.L.; Zare, R.N.,
Chemiluminescent spectra of alkali-halogen reactions,
J. Chem. Phys., 1974, 60, 4032. [all data]
Rice and Klemperer, 1957
Rice, S.A.; Klemperer, W.,
Spectra of the alkali halides. II. The infrared spectra of the sodium and potassium halides, RbCl, and CsCl,
J. Chem. Phys., 1957, 27, 573. [all data]
Honig, Stitch, et al., 1953
Honig, A.; Stitch, M.L.; Mandel, M.,
Microwave spectra of CsF, CsCl, and CsBr,
Phys. Rev., 1953, 92, 901. [all data]
Clouser and Gordy, 1964
Clouser, P.L.; Gordy, W.,
Millimeter-wave molecular-beam spectroscopy: alkali chlorides,
Phys. Rev., 1964, 134, 863. [all data]
Miller, Finney, et al., 1973
Miller, C.E.; Finney, A.A.; Inman, F.W.,
Rotational and hyperfine structure constants for groups IA and IIIA monohalide and monohydride molecules,
At. Data, 1973, 5, 1. [all data]
Honerjager and Tischer, 1974
Honerjager, R.; Tischer, R.,
Mikrowellenrotationsspektren der Molekeln CsF, CsCl, CsBr und CsI,
Z. Naturforsch. A, 1974, 29, 819. [all data]
Luce and Trischka, 1951
Luce, R.G.; Trischka, J.W.,
Radiofrequency spectra of CsCl,
Phys. Rev., 1951, 82, 323. [all data]
Trischka, 1956
Trischka, J.,
Electric dipole moments of the lower vibrational states of molecular CsF and CsCl,
J. Chem. Phys., 1956, 25, 784. [all data]
Hebert, Lovas, et al., 1968
Hebert, A.J.; Lovas, F.J.; Melendres, C.A.; Hollowell, C.D.; Story, T.L., Jr.; Street, K., Jr.,
Dipole moments of some alkali halide molecules by the molecular beam electric resonance method,
J. Chem. Phys., 1968, 48, 2824. [all data]
Mehran, Brooks, et al., 1966
Mehran, F.; Brooks, R.A.; Ramsey, N.F.,
Rotational magnetic moments of alkali-halide molecules,
Phys. Rev., 1966, 141, 93. [all data]
Hoeft, Tiemann, et al., 1972
Hoeft, J.; Tiemann, E.; Torring, T.,
Hyperfeinstruktur von CsCl,
Z. Naturforsch. A, 1972, 27, 1516. [all data]
Honerjager and Tischer, 1973
Honerjager, R.; Tischer, R.,
Hochtemperatur-Mikrowellenspektrometer fur Zeeman-Effekt-Messungen an diamagnetischen Molekeln. gJ - Faktor von TlF, CsF, CsCl, CsBr, CsI und Anistropie der magnetischen suszeptibilitat von TlF, CsF und CsCl,
Z. Naturforsch. A, 1973, 28, 458. [all data]
Brewer and Brackett, 1961
Brewer, L.; Brackett, E.,
The dissociation energies of gaseous alkali halides,
Chem. Rev., 1961, 61, 425. [all data]
Bulewicz, Phillips, et al., 1961
Bulewicz, E.M.; Phillips, L.F.; Sugden, T.M.,
Determination of dissociation constants and heats of formation of simple molecules by flame photometry. Part 8. Stabilities of the gaseous diatomic halides of certain metals,
Trans. Faraday Soc., 1961, 57, 921. [all data]
Scheer and Fine, 1962
Scheer, M.D.; Fine, J.,
Entropies, heats of sublimation, and dissociation energies of the cesium halides,
J. Chem. Phys., 1962, 36, 1647. [all data]
Notes
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Gas phase ion energetics data, Constants of diatomic molecules, NIST Free Links, NIST Subscription Links, References
- Symbols used in this document:
AE Appearance energy EA Electron affinity S°gas,1 bar Entropy of gas at standard conditions (1 bar) S°liquid,1 bar Entropy of liquid at standard conditions (1 bar) S°solid Entropy of solid at standard conditions ΔfH°gas Enthalpy of formation of gas at standard conditions ΔfH°liquid Enthalpy of formation of liquid at standard conditions ΔfH°solid Enthalpy of formation of solid at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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