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Gas phase thermochemistry data

Go To: Top, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, 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
Deltafgas80.64 ± 0.29kcal/molReviewCox, Wagman, et al., 1984CODATA Review value
Deltafgas80.688kcal/molReviewChase, 1998Data last reviewed in June, 1977
Quantity Value Units Method Reference Comment
gas,1 bar39.7701 ± 0.001cal/mol*KReviewCox, Wagman, et al., 1984CODATA Review value
gas,1 bar39.771cal/mol*KReviewChase, 1998Data last reviewed in June, 1977

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) 2843.261 - 6000.
A -19.23670
B 11.79700
C -1.811201
D 0.096788
E 31.86860
F 124.2670
G 46.25600
H 80.68841
ReferenceChase, 1998
Comment Data last reviewed in June, 1977

Condensed phase thermochemistry data

Go To: Top, Gas phase thermochemistry data, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, 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
Deltafliquid2.835kcal/molReviewChase, 1998Data last reviewed in June, 1977
Quantity Value Units Method Reference Comment
liquid,1 bar9.947cal/mol*KReviewChase, 1998Data last reviewed in June, 1977
Quantity Value Units Method Reference Comment
solid,1 bar7.92 ± 0.02cal/mol*KReviewCox, Wagman, et al., 1984CODATA Review value
Quantity Value Units Method Reference Comment
solid7.928cal/mol*KReviewChase, 1998Data last reviewed in June, 1977

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) 1358. - 2843.
A 7.850024
B -0.000020
C 0.000008
D -9.991277×10-7
E -0.000007
F -0.431382
G 17.66805
H 2.833963
ReferenceChase, 1998
Comment Data last reviewed in June, 1977

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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View table.

Temperature (K) 298. - 1358.
A 4.237312
B 6.715751
C -7.469620
D 3.339491
E 0.016398
F -1.447560
G 11.44740
H 0.000000
ReferenceChase, 1998
Comment Data last reviewed in June, 1977

Phase change data

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Reaction thermochemistry data, Gas phase ion energetics 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: Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny, director

Quantity Value Units Method Reference Comment
Tfus1357.95KN/AAnonymous, 1988Uncertainty assigned by TRC = 0.2 K; nominal value, from the catalog

In addition to the Thermodynamics Research Center (TRC) data available from this site, much more physical and chemical property data is available from the following TRC products:


Reaction thermochemistry data

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Gas phase ion energetics 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: 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. 107865-35-0 bullet 4294967295copper) + copper = CAS Reg. No. 107865-35-0

By formula: (CAS Reg. No. 107865-35-0 bullet 4294967295Cu) + Cu = CAS Reg. No. 107865-35-0

Quantity Value Units Method Reference Comment
Deltar37.8 ± 3.5kcal/molN/ASpasov, Lee, et al., 2000gas phase; 0 K dissociation energy
Deltar36.2 ± 1.4kcal/molTherLeopold, Ho, et al., 1987gas phase; Affinity: shift in apparent EA from lesser-solvated ion. Ignores any neutral-neutral bond.

(CAS Reg. No. 69670-04-8 bullet 4294967295copper) + copper = CAS Reg. No. 69670-04-8

By formula: (CAS Reg. No. 69670-04-8 bullet 4294967295Cu) + Cu = CAS Reg. No. 69670-04-8

Quantity Value Units Method Reference Comment
Deltar55.8 ± 3.5kcal/molN/ASpasov, Lee, et al., 2000gas phase; 0 K dissociation energy
Deltar60. ± 10.kcal/molN/AHo, Ervin, et al., 1990gas phase; Vertical Detachment Energy: 2.37±0.01 eV.

(CAS Reg. No. 108658-51-1 bullet 4294967295copper) + copper = CAS Reg. No. 108658-51-1

By formula: (CAS Reg. No. 108658-51-1 bullet 4294967295Cu) + Cu = CAS Reg. No. 108658-51-1

Quantity Value Units Method Reference Comment
Deltar44.5 ± 2.8kcal/molN/ASpasov, Lee, et al., 2000gas phase; 0 K dissociation energy

(CAS Reg. No. 108658-52-2 bullet 4294967295copper) + copper = CAS Reg. No. 108658-52-2

By formula: (CAS Reg. No. 108658-52-2 bullet 4294967295Cu) + Cu = CAS Reg. No. 108658-52-2

Quantity Value Units Method Reference Comment
Deltar54.2 ± 2.8kcal/molN/ASpasov, Lee, et al., 2000gas phase; 0 K dissociation energy

(CAS Reg. No. 108658-53-3 bullet 4294967295copper) + copper = CAS Reg. No. 108658-53-3

By formula: (CAS Reg. No. 108658-53-3 bullet 4294967295Cu) + Cu = CAS Reg. No. 108658-53-3

Quantity Value Units Method Reference Comment
Deltar58.8 ± 6.9kcal/molN/ASpasov, Lee, et al., 2000gas phase; 0 K dissociation energy

(CAS Reg. No. 108658-54-4 bullet 4294967295copper) + copper = CAS Reg. No. 108658-54-4

By formula: (CAS Reg. No. 108658-54-4 bullet 4294967295Cu) + Cu = CAS Reg. No. 108658-54-4

Quantity Value Units Method Reference Comment
Deltar66.2 ± 5.1kcal/molN/ASpasov, Lee, et al., 2000gas phase; 0 K dissociation energy

(CAS Reg. No. 108658-55-5 bullet 4294967295copper) + copper = CAS Reg. No. 108658-55-5

By formula: (CAS Reg. No. 108658-55-5 bullet 4294967295Cu) + Cu = CAS Reg. No. 108658-55-5

Quantity Value Units Method Reference Comment
Deltar55.6 ± 6.9kcal/molN/ASpasov, Lee, et al., 2000gas phase; 0 K dissociation energy

Gas phase ion energetics data

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, 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 evaluated as indicated in comments:
HL - Edward P. Hunter and Sharon G. Lias
L - Sharon G. Lias

Data compiled as indicated in comments:
LL - Sharon G. Lias and Joel F. Liebman
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

View reactions leading to Cu+ (ion structure unspecified)

Quantity Value Units Method Reference Comment
IE (evaluated)7.72638 ± 0.00001eVN/AN/AL
Quantity Value Units Method Reference Comment
Proton affinity (review)156.6kcal/molN/AHunter and Lias, 1998HL
Quantity Value Units Method Reference Comment
Gas basicity151.1kcal/molN/AHunter and Lias, 1998HL

Electron affinity determinations

EA (eV) Method Reference Comment
1.236 ± 0.033N/AWu, Qin, et al., 2010B
1.235792 ± 0.000044N/ABilodeau, Scheer, et al., 1998B
1.226 ± 0.010LPESHotop, Bennett, et al., 1973B
1.20 ± 0.15LPESTaylor, Pettiettehall, et al., 1992EA set as 0.2 eV above onset to correct for unresolved hot bands.; B
1.2350 ± 0.0050LPESLeopold, Ho, et al., 1987B

Ionization energy determinations

IE (eV) Method Reference Comment
7.72638EVALLide, 1992LL
8.0EIHildenbrand and Lau, 1991LL
7.726380 ± 0.000013SSugar and Musgrove, 1990LL
7.7263SKelly, 1987LBLHLM
7.72PEDyke, Fayad, et al., 1979LLK
7.72628 ± 0.00002STondello, 1973LLK
7.71 ± 0.05EICabaud, Hoareau, et al., 1972LLK
7.726SMoore, 1970RDSH

References

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, Notes

Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Cox, Wagman, et al., 1984
Cox, J.D.; Wagman, D.D.; Medvedev, V.A., CODATA Key Values for Thermodynamics, Hemisphere Publishing Corp., New York, 1984, 1. [all data]

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

Anonymous, 1988
Anonymous, X., , NBS Spec. Publ. (U. S.) 260, 1988. [all data]

Spasov, Lee, et al., 2000
Spasov, V.A.; Lee, T.H.; Ervin, K.M., Threshold collision-induced dissociation of anionic copper clusters and copper cluster monocarbonyls, J. Chem. Phys., 2000, 112, 4, 1713-1720, https://doi.org/10.1063/1.480736 . [all data]

Leopold, Ho, et al., 1987
Leopold, D.G.; Ho, J.; Lineberger, W.C., Photoelectron Spectroscopy of Mass-selected Metal Cluster Anions. I. Cun-, n=1-10, J. Chem. Phys., 1987, 86, 4, 1715, https://doi.org/10.1063/1.452170 . [all data]

Ho, Ervin, et al., 1990
Ho, J.; Ervin, K.M.; Lineberger, W.C., Photoelectron Spectroscopy of Metal Cluster Anions - Cun-, Agn-, and Aun-, J. Chem. Phys., 1990, 93, 10, 6987, https://doi.org/10.1063/1.459475 . [all data]

Hunter and Lias, 1998
Hunter, E.P.; Lias, S.G., Evaluated Gas Phase Basicities and Proton Affinities of Molecules: An Update, J. Phys. Chem. Ref. Data, 1998, 27, 3, 413-656, https://doi.org/10.1063/1.556018 . [all data]

Wu, Qin, et al., 2010
Wu, X.; Qin, Z.B.; Xie, H.; Cong, R.; Wu, X.H.; Tang, Z.C.; Fan, H.J., Photoelectron Imaging and Theoretical Studies of Group 11 Cyanides MCN (M = Cu, Ag, Au), J. Phys. Chem. A, 2010, 114, 49, 12839-12844, https://doi.org/10.1021/jp1013708 . [all data]

Bilodeau, Scheer, et al., 1998
Bilodeau, R.C.; Scheer, M.; Haugen, H.K., Infrared Laser Photodetachment of Transition Metal Negative Ions: Studies on Cr-, Mo-, Cu-, and Ag-, J. Phys. B: Atom. Mol. Opt. Phys., 1998, 31, 17, 3885-3891, https://doi.org/10.1088/0953-4075/31/17/013 . [all data]

Hotop, Bennett, et al., 1973
Hotop, H.; Bennett, R.A.; Lineberger, W.C., Electron Affinities of Cu and Ag, J. Chem. Phys., 1973, 58, 6, 2373, https://doi.org/10.1063/1.1679514 . [all data]

Taylor, Pettiettehall, et al., 1992
Taylor, K.J.; Pettiettehall, C.L.; Cheshnovsky, O.; Smalley, R.E., Ultraviolet Photoelectron Spectra of Coinage Metal Clusters, J. Chem. Phys., 1992, 96, 4, 3319, https://doi.org/10.1063/1.461927 . [all data]

Lide, 1992
Lide, D.R. (Editor), Ionization potentials of atoms and atomic ions in Handbook of Chem. and Phys., 1992, 10-211. [all data]

Hildenbrand and Lau, 1991
Hildenbrand, D.L.; Lau, K.H., Redetermination of the thermochemistry of gaseous UF5, UF2, and UF, J. Chem. Phys., 1991, 94, 1420. [all data]

Sugar and Musgrove, 1990
Sugar, J.; Musgrove, A., Energy levels of copper, CuI through CuXXIX, J. Phys. Chem. Ref. Data, 1990, 19, 527. [all data]

Kelly, 1987
Kelly, R.L., Atomic and ionic spectrum lines of hydrogen through kryton, J. Phys. Chem. Ref. Data, 1987, 16. [all data]

Dyke, Fayad, et al., 1979
Dyke, J.M.; Fayad, N.K.; Morris, A.; Trickle, I.R., Gas-phase He I photoelectron spectra of some transition metals: Cu, Ag, Au, Cr and Mn, J. Phys. B:, 1979, 12, 2985. [all data]

Tondello, 1973
Tondello, G., Absorption spectrum of Cu I in the vacuum ultraviolet, J. Opt. Soc. Am., 1973, 63, 346. [all data]

Cabaud, Hoareau, et al., 1972
Cabaud, B.; Hoareau, A.; Nounou, P.; Uzan, R., Etude des processus d'ionisation a haute temperature des vapeurs metalliques par couplage d'une cellule de knudsen et d'une source fox. II. Interpretation des processus d'autoionisation des vapeurs metalliques monoatomiques et influence delatemperature sur les courbes d'efficacite d'ionisation., Int. J. Mass Spectrom. Ion Phys., 1972, 8, 181. [all data]

Moore, 1970
Moore, C.E., Ionization potentials and ionization limits derived from the analyses of optical spectra, Natl. Stand. Ref. Data Ser., (U.S. Natl. Bur. Stand.), 1970, 34, 1. [all data]


Notes

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, References