Copper dimer
- Formula: Cu2
- Molecular weight: 127.092
- IUPAC Standard InChI: InChI=1S/2Cu
- IUPAC Standard InChIKey: ALKZAGKDWUSJED-UHFFFAOYSA-N
- CAS Registry Number: 12190-70-4
- Chemical structure:
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Gas phase thermochemistry data
Go To: Top, Gas phase ion energetics data, 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.
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔfH°gas | 116.00 | kcal/mol | Review | Chase, 1998 | Data last reviewed in September, 1966 |
| Quantity | Value | Units | Method | Reference | Comment |
| S°gas,1 bar | 57.770 | cal/mol*K | Review | Chase, 1998 | Data last reviewed in September, 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) | 298. to 6000. |
|---|---|
| A | 8.960110 |
| B | 0.161910 |
| C | -0.010658 |
| D | 0.005056 |
| E | -0.023996 |
| F | 113.2410 |
| G | 68.43059 |
| H | 116.0000 |
| Reference | Chase, 1998 |
| Comment | Data last reviewed in September, 1966 |
Gas phase ion energetics data
Go To: Top, Gas phase thermochemistry data, 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 evaluated as indicated in comments:
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
B - John E. Bartmess
View reactions leading to Cu2+ (ion structure unspecified)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| IE (evaluated) | 7.899 ± 0.007 | eV | N/A | N/A | L |
Electron affinity determinations
| EA (eV) | Method | Reference | Comment |
|---|---|---|---|
| 0.84 ± 0.15 | LPES | Taylor, Pettiettehall, et al., 1992 | EA set as 0.2 eV above onset to correct for unresolved hot bands.; B |
| 0.880 ± 0.020 | LPES | Ho, Ervin, et al., 1990 | Stated electron affinity is the Vertical Detachment Energy; B |
| 0.842 ± 0.010 | LPES | Leopold, Ho, et al., 1987 | Affinity: shift in apparent EA from lesser-solvated ion. Ignores any neutral-neutral bond.; B |
Ionization energy determinations
| IE (eV) | Method | Reference | Comment |
|---|---|---|---|
| 7.46 ± 0.15 | EI | Franzreb, Wucher, et al., 1990 | LL |
| 7.899 ± 0.007 | LS | Sappey, Harrington, et al., 1989 | LL |
| 7.894 ± 0.015 | LS | Powers, Hansen, et al., 1983 | LBLHLM |
| 7.37 | EVAL | Huber and Herzberg, 1979 | LLK |
| 7.8 ± 0.4 | EI | Hilpert, 1979 | LLK |
| 7.8 | EI | Neckel and Sodeck, 1972 | LLK |
Constants of diatomic molecules
Go To: Top, Gas phase 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: Klaus P. Huber and Gerhard H. Herzberg
Data collected through December, 1974
| 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 |
|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Additional band systems attributed to Cu2 in the regions 34500 - 37000, 39000 - 40100, and 40600 - 42900 cm-1. No analysis. | ||||||||||||
| ↳Ruamps, 1959 | ||||||||||||
| B 1Σ+ | 21758.35 | [242.15] Z | 2.0 H | -0.02 | 0.098890 | 0.000606 | 6.30E-08 | 2.3276 | B ↔ X R | 21747.88 Z | ||
| ↳missing citation; Ruamps, 1954; Aslund, Barrow, et al., 1965; Pesic and Weniger, 1971; Rao and Lakshman, 1971 | ||||||||||||
| A (1Πu) | 20433.2 | 191.9 H | 0.348 | -0.018 | (0.08185) | (0.00062) | (0.000000038) | (2.5584) | A ↔ X R | 20396.0 H | ||
| ↳missing citation; Ruamps, 1954; Aslund, Barrow, et al., 1965; Pesic and Weniger, 1971, 2 | ||||||||||||
| X 1Σ+ | 0 | [264.55] Z | 1.025 H | 0.0008 | 0.108743 | 0.000614 | 7.16E-08 | 2.2197 | ||||
Notes
| 1 | Thermochemical value (mass-spectrom.) Drowart and Honig, 1956, Schissel, 1957, Ackerman, Stafford, et al., 1960, recalculated Smoes, Mandy, et al., 1972. |
| 2 | Experimental value by Cabaud, 1972, quoted in an ab initio study of Cu2 and Cu2+ by Joyes and Leleyter, 1973. No details. |
References
Go To: Top, Gas 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]
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]
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]
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]
Franzreb, Wucher, et al., 1990
Franzreb, K.; Wucher, A.; Oechsner, H.,
Electron impact ionization of small silver and copper clusters,
Z. Phys. D, 1990, 17, 51. [all data]
Sappey, Harrington, et al., 1989
Sappey, A.D.; Harrington, J.E.; Weisshaar, J.C.,
Resonant two-photo ionization-photoelectron spectroscopy of Cu2: Autoionization dynamics and Cu2+ vibronic states,
J. Chem. Phys., 1989, 91, 3854. [all data]
Powers, Hansen, et al., 1983
Powers, D.E.; Hansen, S.G.; Geusic, M.E.; Michalopoulos, D.L.; Smalley, R.E.,
Supersonic copper clusters,
J. Chem. Phys., 1983, 78, 2866. [all data]
Huber and Herzberg, 1979
Huber, K.P.; Herzberg, G.,
Molecular Spectra and Molecular Structure. IV. Constants of Diatomic Molecules,, Van Nostrand Reinhold Co., 1979, ,1. [all data]
Hilpert, 1979
Hilpert, K.,
Mass spectrometric determination of the dissociation energies of CuTb(g), CuDy(g), and CuHo(g),
Ber. Bunsen-Ges. Phys. Chem., 1979, 83, 161. [all data]
Neckel and Sodeck, 1972
Neckel, A.; Sodeck, G.,
Bestimmung der dissoziationsenergien der gasformigen molekule CuGe, AgGe and AuGe,
Monatsh. Chem., 1972, 103, 367. [all data]
Ruamps, 1959
Ruamps, P.J.,
Production et etude du spectre optique de molecules diatomiques de metaux et contribution au calcul theorique des intensites,
Ann. Phys. (Paris), 1959, 4, 1111. [all data]
Ruamps, 1954
Ruamps, J.,
Spectre d'emission des molecules Cu2, Ag2, et Au2,
Compt. Rend., 1954, 238, 1489. [all data]
Aslund, Barrow, et al., 1965
Aslund, N.; Barrow, R.F.; Richards, W.G.; Travis, D.N.,
Rotational analysis of bands of the B-X system of Cu2 and of the A-X system of Bi2,
Ark. Fys., 1965, 30, 171. [all data]
Pesic and Weniger, 1971
Pesic, D.S.; Weniger, S.,
Etude de la structure de vibration du systeme B-X de la molecule 63Cu65Cu,
C.R. Acad. Sci. Paris, Ser. B, 1971, 272, 46. [all data]
Rao and Lakshman, 1971
Rao, T.V.R.; Lakshman, S.V.J.,
RKRV curves, r-centroids and Franck-Condon factors for bands of the 63Cu2 molecule,
J. Quant. Spectrosc. Radiat. Transfer, 1971, 11, 1157. [all data]
Pesic and Weniger, 1971, 2
Pesic, D.S.; Weniger, S.,
Analyse rotationnelle des bandes du systme A-X de 63Cu2,
C.R. Acad. Sci. Paris, Ser. B, 1971, 273, 602. [all data]
Drowart and Honig, 1956
Drowart, J.; Honig, R.E.,
Mass spectrometric study of copper, silver, and gold,
J. Chem. Phys., 1956, 25, 581. [all data]
Schissel, 1957
Schissel, P.,
Dissociation energies of Cu2, Ag2, and Au2,
J. Chem. Phys., 1957, 26, 1276. [all data]
Ackerman, Stafford, et al., 1960
Ackerman, M.; Stafford, F.E.; Drowart, J.,
Mass spectrometric determination of the dissociation energies of the molecules AgAu, AgCu, and AuCu,
J. Chem. Phys., 1960, 33, 1784. [all data]
Smoes, Mandy, et al., 1972
Smoes, S.; Mandy, F.; Vander Auwera-Mahieu, A.; Drowart, J.,
Determination by the mass spectrometric Knudsen cell method of the dissociation energies of the group IB chalcogenides,
Bull. Soc. Chim. Belg., 1972, 81, 45. [all data]
Cabaud, 1972
Cabaud,
Ph.D. Thesis, University of Claude Bernard, Lyon, 1972, 0. [all data]
Joyes and Leleyter, 1973
Joyes, P.; Leleyter, M.,
Ab initio study of Cu2 and Cu2+,
J. Phys. B:, 1973, 6, 150. [all data]
Notes
Go To: Top, Gas phase thermochemistry data, Gas phase ion energetics data, Constants of diatomic molecules, References
- Symbols used in this document:
EA Electron affinity IE (evaluated) Recommended ionization energy S°gas,1 bar Entropy of gas at standard conditions (1 bar) ΔfH°gas Enthalpy of formation of gas at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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