Copper monofluoride
- Formula: CuF
- Molecular weight: 82.544
- IUPAC Standard InChI: InChI=1S/Cu.FH/h;1H/q+1;/p-1
- IUPAC Standard InChIKey: BMRUOURRLCCWHB-UHFFFAOYSA-M
- CAS Registry Number: 13478-41-6
- 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 | -12.55 | kJ/mol | Review | Chase, 1998 | Data last reviewed in December, 1977 |
| Quantity | Value | Units | Method | Reference | Comment |
| S°gas,1 bar | 226.49 | J/mol*K | Review | Chase, 1998 | Data last reviewed in December, 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 (J/mol*K)
H° = standard enthalpy (kJ/mol)
S° = standard entropy (J/mol*K)
t = temperature (K) / 1000.
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| Temperature (K) | 298. to 1500. | 1500. to 6000. |
|---|---|---|
| A | 33.73476 | 52.10544 |
| B | 8.325868 | -10.16766 |
| C | -6.103536 | 2.542886 |
| D | 1.636351 | -0.156636 |
| E | -0.208962 | -9.517137 |
| F | -23.63081 | -44.04957 |
| G | 263.9163 | 274.4269 |
| H | -12.55200 | -12.55200 |
| Reference | Chase, 1998 | Chase, 1998 |
| Comment | Data last reviewed in December, 1977 | Data last reviewed in December, 1977 |
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 compiled as indicated in comments:
LL - Sharon G. Lias and Joel F. Liebman
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 CuF+ (ion structure unspecified)
Ionization energy determinations
| IE (eV) | Method | Reference | Comment |
|---|---|---|---|
| 10.8 | EI | Hildenbrand and Lau, 1991 | LL |
| 10.15 ± 0.02 | PE | Dyke, Fayad, et al., 1980 | LLK |
| 10.5 ± 0.3 | EI | Hastie and Margrave, 1968 | Unpublished result of D.L.Hildenbrand; RDSH |
| 8.6 ± 0.3 | EI | Kent, McDonald, et al., 1966 | RDSH |
| 10.90 ± 0.01 | PE | Dyke, Fayad, et al., 1980 | Vertical value; 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 August, 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 |
|---|---|---|---|---|---|---|---|---|---|---|---|---|
| C 1Π | 20258.47 | 645.07 HQ | 4.19 | [0.3746] 1 | (0.00000051) | [1.7561] | C ↔ X R | 20269.62 Z | ||||
| ↳Ritschl, 1927; missing citation | ||||||||||||
| B 1Σ+ | 19717.5 | 657.0 2 | 3.92 | 0.3716 | 0.0032 3 | (0.00000048) | 1.7632 | B ↔ X R | 19734.66 Z | |||
| ↳Ritschl, 1927; missing citation | ||||||||||||
| A 1Π | 17543.4 | 649.2 4 HQ | 4.00 | [0.3675] 5 | [1.7730] | A ↔ X R | 17556.7 HQ | |||||
| ↳Ritschl, 1927; Woods, 1943 | ||||||||||||
| X 1Σ+ | 0 | 622.65 HQ | 3.95 | 0.3794029 | 0.0032298 | 0.0000123 | 0.000000563 | 1.744930 6 | ||||
| ↳Hoeft, Lovas, et al., 1970; Honerjager and Tischer, 1974 | ||||||||||||
Notes
| 1 | Λ-type doubling Δνef = +0.0010J(J+1). |
| 2 | From bandheads, taking into account head-origin separations. |
| 3 | Slight modification of the analysis of the 1-1 band in Woods, 1943. |
| 4 | 0-0 sequence only. Constants recalculated assuming that the lower state is X 1Σ+. |
| 5 | From a partial rotational analysis, assuming that the lower state is X 1Σ+. |
| 6 | Microwave sp. 8 |
| 7 | Thermochemical value (mass.spectrom.) Hildenbrand, 1968. See also Kent, McDonald, et al., 1966. |
| 8 | μel(v=0) = 5.77 D. Values for eqQ(Cu) in Hoeft, Lovas, et al., 1970, magnetic constants from Zeeman effect measurements in Honerjager and Tischer, 1974. |
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]
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]
Dyke, Fayad, et al., 1980
Dyke, J.M.; Fayad, N.K.; Josland, G.D.; Morris, A.,
Study by high-temperature photoelectron spectroscopy of the electronic structure of the transition metal difluorides, CuF2 and ZnF2,
J. Chem. Soc. Faraday Trans. 2, 1980, 76, 1672. [all data]
Hastie and Margrave, 1968
Hastie, J.W.; Margrave, J.L.,
Ionization potentials and molecule-ion dissociation energies for diatomic metal halides,
Fluorine Chem. Rev., 1968, 2, 77. [all data]
Kent, McDonald, et al., 1966
Kent, R.A.; McDonald, J.D.; Margrave, J.L.,
Mass spectrometric studies at high temperatures. IX. The sublimation pressure of copper(II) fluoride,
J. Phys. Chem., 1966, 70, 874. [all data]
Ritschl, 1927
Ritschl, R.,
Uber den bau einer klasse von absorptionsspektren,
Z. Phys., 1927, 42, 172. [all data]
Woods, 1943
Woods, L.H.,
Rotational analysis of the emission spectrum of CuF,
Phys. Rev., 1943, 64, 259. [all data]
Hoeft, Lovas, et al., 1970
Hoeft, J.; Lovas, F.J.; Tiemann, E.; Torring, T.,
The rotational spectra and dipole moments of AgF and CuF by microwave absorption,
Z. Naturforsch. A, 1970, 25, 35. [all data]
Honerjager and Tischer, 1974
Honerjager, R.; Tischer, R.,
Magnetische Konstanten der Molekeln CuF und GaF,
Z. Naturforsch. A, 1974, 29, 1919. [all data]
Hildenbrand, 1968
Hildenbrand, D.L.,
Dissociation energy of copper monofluoride,
J. Chem. Phys., 1968, 48, 2457. [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:
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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