copper chloride
- Formula: ClCu
- Molecular weight: 98.999
- IUPAC Standard InChI: InChI=1S/ClH.Cu/h1H;/q;+1/p-1
- IUPAC Standard InChIKey: OXBLHERUFWYNTN-UHFFFAOYSA-M
- CAS Registry Number: 7758-89-6
- 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: Cuprous monochloride
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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 |
|---|---|---|---|---|---|
| ΔfH°gas | 21.77 | kcal/mol | Review | Chase, 1998 | Data last reviewed in March, 1966 |
| Quantity | Value | Units | Method | Reference | Comment |
| S°gas,1 bar | 56.692 | cal/mol*K | Review | Chase, 1998 | Data last reviewed in March, 1966 |
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 | 8.897881 |
| B | 0.149851 |
| C | -0.010285 |
| D | 0.000877 |
| E | -0.046379 |
| F | 18.95500 |
| G | 67.15490 |
| H | 21.77010 |
| Reference | Chase, 1998 |
| Comment | Data last reviewed in March, 1966 |
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 | -31.353 | kcal/mol | Review | Chase, 1998 | Data last reviewed in March, 1966 |
| Quantity | Value | Units | Method | Reference | Comment |
| S°liquid,1 bar | 22.41 | cal/mol*K | Review | Chase, 1998 | Data last reviewed in March, 1966 |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔfH°solid | -33.000 | kcal/mol | Review | Chase, 1998 | Data last reviewed in March, 1966 |
| Quantity | Value | Units | Method | Reference | Comment |
| S°solid | 20.80 | cal/mol*K | Review | Chase, 1998 | Data last reviewed in March, 1966 |
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) | 703. to 3000. |
|---|---|
| A | 16.00000 |
| B | -8.842321×10-11 |
| C | 5.178650×10-11 |
| D | -9.322321×10-12 |
| E | -2.345410×10-12 |
| F | -36.12271 |
| G | 41.76991 |
| H | -31.35229 |
| Reference | Chase, 1998 |
| Comment | Data last reviewed in March, 1966 |
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.
View plot Requires a JavaScript / HTML 5 canvas capable browser.
| Temperature (K) | 298. to 703. |
|---|---|
| A | 17.99020 |
| B | -6.413031 |
| C | 6.140431 |
| D | -1.758600 |
| E | -0.441622 |
| F | -39.61040 |
| G | 41.74579 |
| H | -33.00000 |
| Reference | Chase, 1998 |
| Comment | Data last reviewed in March, 1966 |
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:
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron
View reactions leading to ClCu+ (ion structure unspecified)
Ionization energy determinations
| IE (eV) | Method | Reference | Comment |
|---|---|---|---|
| 10.7 | EI | Bloom and Williams, 1981 | LLK |
| 10.7 ± 0.3 | EI | Guido, Gigli, et al., 1972 | LLK |
| 10.7 ± 0.3 | EI | Hildenbrand, 1970 | RDSH |
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 December, 1975
| 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 |
|---|---|---|---|---|---|---|---|---|---|---|---|---|
| F 1Π (1) | 25285.3 | 384.94 Z | 1.65 | 0.1607 | 0.00091 | 0.00000012 | 2.148 | F ↔ X R | 25270.11 Z | |||
| ↳Bloomenthal, 1938; Asundi and Rao, 1961; missing citation; missing citation; Puri and Mohan, 1970 | ||||||||||||
| E 1Σ+ (0+) | 23074.24 | 403.30 Z | 1.62 1 | -0.0093 | 0.1663 | 0.00108 | 1.0E-07 | 2.112 | E ↔ X R | 23068.23 Z | ||
| ↳Ritschl, 1927; Sinha, 1948; Asundi and Rao, 1961; Rao and Brody, 1961; missing citation; Puri and Mohan, 1970 | ||||||||||||
| D 1Π (1) | 22969.74 | 392.89 Z | 1.745 | 0.16777 | 0.00098 | 2.1026 | D ↔ X R | 22958.50 Z | ||||
| ↳Ritschl, 1927; Asundi and Rao, 1961; Rao and Brody, 1961; missing citation; Puri and Mohan, 1970; Ahmed and Barrow, 1975 | ||||||||||||
| C 1Σ+ (0+) | 20630.94 | 396.93 Z | 1.48 2 | 0.1691 | 0.00089 | 0.00000012 | 2.094 | C ↔ X R | 20621.78 Z | |||
| ↳Ritschl, 1927; Asundi and Rao, 1961; Rao and Brody, 1961; Lagerqvist and Lazarova-Girsamof, 1961; missing citation | ||||||||||||
| State | Te | ωe | ωexe | ωeye | Be | αe | γe | De | βe | re | Trans. | ν00 |
| B 1Π (1) | 20484.08 | 399.29 Z | 1.61 2 | 0.1684 | 0.00092 | 0.00000012 | 2.099 | B ↔ X R | 20476.07 Z | |||
| ↳Ritschl, 1927; Asundi and Rao, 1961; Rao and Brody, 1961; Lagerqvist and Lazarova-Girsamof, 1961; missing citation | ||||||||||||
| A 1Π (1) | 19001.4 | 407.0 H | 1.70 | A ↔ X R | 18997.2 H | |||||||
| ↳Ritschl, 1927; missing citation | ||||||||||||
| A' (1Σ+) | (13440) | (510) 3 | (A' → X) V | 13479.5 H | ||||||||
| ↳Rao and Rao, 1974 | ||||||||||||
| X 1Σ+ | 0 | 415.29 4 Z | 1.58 | 0.17628802 5 | 0.00099647 6 | 1.27060E-07 7 | -7.6E-11 | 2.051183 8 9 | ||||
| ↳Manson, De Lucia, et al., 1975 | ||||||||||||
Notes
| 1 | ωeye recalculated for v ≤ 4. |
| 2 | From the value for the 63Cu35Cl isotope [see Lagerqvist and Lazarova-Girsamof, 1961]. |
| 3 | Preliminary data. |
| 4 | Consistent with constants for 63Cu35Cl in Lagerqvist and Lazarova-Girsamof, 1961. |
| 5 | For constants of 63Cu35Cl, 63Cu37Cl, 65Cu37Cl see Manson, De Lucia, et al., 1975. |
| 6 | αv= +1.964E-6(v+1/2)2 - 2E-9(v+1/2)3. |
| 7 | He = -2.007E-14. |
| 8 | From the corrected Be = 0.1762895 cm-1 [see Manson, De Lucia, et al., 1975]. |
| 9 | Microwave sp. |
| 10 | Thermochemica1 value (mass-spectrom.) Hildenbrand, 1970, Guido, Gigli, et al., 1972. |
| 11 | Λ-type doubling Δνef(v=0) = -0.00111J(J+1). |
| 12 | Λ-type doubling Δνef(v=0) = -0.00087J(J+1). |
References
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Gas phase ion energetics 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.
Chase, 1998
Chase, M.W., Jr.,
NIST-JANAF Themochemical Tables, Fourth Edition,
J. Phys. Chem. Ref. Data, Monograph 9, 1998, 1-1951. [all data]
Bloom and Williams, 1981
Bloom, H.; Williams, D.J.,
A mass spectrometric study of the vapors above the molten salt systems LiCl-CuCl, LiBr-CuBr, and NaI-CuI,
J. Chem. Phys., 1981, 75, 4636. [all data]
Guido, Gigli, et al., 1972
Guido, M.; Gigli, G.; Balducci, G.,
Dissociation energy of CuCl and Cu2Cl2 gaseous molecules,
J. Chem. Phys., 1972, 57, 3731. [all data]
Hildenbrand, 1970
Hildenbrand, D.L.,
Dissociation energies and chemical bonding in the alkaline-earth chlorides from mass spectrometric studies,
J. Chem. Phys., 1970, 52, 5751. [all data]
Bloomenthal, 1938
Bloomenthal, S.,
Vibrational analysis for a new CuCl band system excited by active nitrogen,
Phys. Rev., 1938, 54, 497. [all data]
Asundi and Rao, 1961
Asundi, R.K.; Rao, P.R.,
Rotational analysis of 65Cu35Cl bands,
Nature (London), 1961, 192, 444. [all data]
Puri and Mohan, 1970
Puri, S.N.; Mohan, H.,
Thermal emission & absorption spectra (F-X system) of CuCl molecule,
Indian J. Pure Appl. Phys., 1970, 8, 759. [all data]
Ritschl, 1927
Ritschl, R.,
Uber den bau einer klasse von absorptionsspektren,
Z. Phys., 1927, 42, 172. [all data]
Sinha, 1948
Sinha, S.P.,
On the flame spectrum of CuCl,
Curr. Sci., 1948, 17, 208. [all data]
Rao and Brody, 1961
Rao, P.R.; Brody, J.K.,
Structure of the band spectrum of CuCl molecule. I. Additional knowledge in the coarse structure,
J. Chem. Phys., 1961, 35, 776. [all data]
Ahmed and Barrow, 1975
Ahmed, F.; Barrow, R.F.,
Rotational analysis of bands of the D-X system of gaseous CuCl,
J. Phys. B:, 1975, 8, 362. [all data]
Lagerqvist and Lazarova-Girsamof, 1961
Lagerqvist, A.; Lazarova-Girsamof, V.,
Rotationsanalyse einiger Kupferchloridbanden,
Die Naturwissenschaften, 1961, 48, 68. [all data]
Rao and Rao, 1974
Rao, P.M.R.; Rao, P.R.,
A new band system of CuCl molecule,
Spectrosc. Lett., 1974, 7, 463. [all data]
Manson, De Lucia, et al., 1975
Manson, E.L.; De Lucia, F.C.; Gordy, W.,
Millimeter- and submillimeter-wave spectrum and molecular constants of cuprous chloride,
J. Chem. Phys., 1975, 62, 1040. [all data]
Notes
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Gas phase ion energetics data, Constants of diatomic molecules, References
- Symbols used in this document:
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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