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copper chloride


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
Deltafgas21.77kcal/molReviewChase, 1998Data last reviewed in March, 1966
Quantity Value Units Method Reference Comment
gas,1 bar56.692cal/mol*KReviewChase, 1998Data 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. - 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
ReferenceChase, 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
Deltafliquid-31.353kcal/molReviewChase, 1998Data last reviewed in March, 1966
Quantity Value Units Method Reference Comment
liquid,1 bar22.41cal/mol*KReviewChase, 1998Data last reviewed in March, 1966
Quantity Value Units Method Reference Comment
Deltafsolid-33.000kcal/molReviewChase, 1998Data last reviewed in March, 1966
Quantity Value Units Method Reference Comment
solid20.80cal/mol*KReviewChase, 1998Data 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. - 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
ReferenceChase, 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.

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Temperature (K) 298. - 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
ReferenceChase, 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
10.7EIBloom and Williams, 1981LLK
10.7 ± 0.3EIGuido, Gigli, et al., 1972LLK
10.7 ± 0.3EIHildenbrand, 1970RDSH

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

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 65Cu35Cl
StateTeomegaeomegaexeomegaeyeBealphaegammaeDebetaereTrans.nu00
F 1Pi (1) 25285.3 384.94 Z 1.65  0.1607 0.00091  0.00000012  2.148 F lrarrow X R 25270.11 Z
Bloomenthal, 1938; Asundi and Rao, 1961; missing citation; missing citation; Puri and Mohan, 1970
E 1Sigma+ (0+) 23074.24 403.30 Z 1.62 1 -0.0093 0.1663 0.00108  1.0E-07  2.112 E lrarrow X R 23068.23 Z
Ritschl, 1927; Sinha, 1948; Asundi and Rao, 1961; Rao and Brody, 1961; missing citation; Puri and Mohan, 1970
D 1Pi (1) 22969.74 392.89 Z 1.745  0.16777 0.00098    2.1026 D lrarrow 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 1Sigma+ (0+) 20630.94 396.93 Z 1.48 2  0.1691 0.00089  0.00000012  2.094 C lrarrow X R 20621.78 Z
Ritschl, 1927; Asundi and Rao, 1961; Rao and Brody, 1961; Lagerqvist and Lazarova-Girsamof, 1961; missing citation
StateTeomegaeomegaexeomegaeyeBealphaegammaeDebetaereTrans.nu00
B 1Pi (1) 20484.08 399.29 Z 1.61 2  0.1684 0.00092  0.00000012  2.099 B lrarrow X R 20476.07 Z
Ritschl, 1927; Asundi and Rao, 1961; Rao and Brody, 1961; Lagerqvist and Lazarova-Girsamof, 1961; missing citation
A 1Pi (1) 19001.4 407.0 H 1.70        A lrarrow X R 18997.2 H
Ritschl, 1927; missing citation
A' (1Sigma+) (13440) (510) 3         (A' rarrow X) V 13479.5 H
Rao and Rao, 1974
X 1Sigma+ 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

1omegaeye recalculated for v leq 4.
2From the value for the 63Cu35Cl isotope [see Lagerqvist and Lazarova-Girsamof, 1961].
3Preliminary data.
4Consistent with constants for 63Cu35Cl in Lagerqvist and Lazarova-Girsamof, 1961.
5For constants of 63Cu35Cl, 63Cu37Cl, 65Cu37Cl see Manson, De Lucia, et al., 1975.
6alphav= +1.964E-6(v+1/2)2 - 2E-9(v+1/2)3.
7He = -2.007E-14.
8From the corrected Be = 0.1762895 cm-1 [see Manson, De Lucia, et al., 1975].
9Microwave sp.
10Thermochemica1 value (mass-spectrom.) Hildenbrand, 1970, Guido, Gigli, et al., 1972.
11Lambda-type doubling Deltanuef(v=0) = -0.00111J(J+1).
12Lambda-type doubling Deltanuef(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

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