Copper monohydride

Formula: CuH
Molecular weight: 64.554
IUPAC Standard InChI: InChI=1S/Cu.H
IUPAC Standard InChIKey: JJFLDSOAQUJVBF-UHFFFAOYSA-N
CAS Registry Number: 13517-00-5
Chemical structure:
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Gas phase ion energetics data

Go To: Top, Constants of diatomic molecules, References, Notes

Electron affinity determinations

EA (eV)	Method	Reference	Comment
0.4440 ± 0.0060	LPES	Calvi, Andrews, et al., 2007

De-protonation reactions

Cu^- + = Copper monohydride

By formula: Cu^- + H⁺ = HCu

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	1451. ± 11.	kJ/mol	D-EA	Bilodeau, Scheer, et al., 1998	gas phase
Δ_rH°	1451. ± 11.	kJ/mol	D-EA	Leopold, Ho, et al., 1987	gas phase

Constants of diatomic molecules

Go To: Top, Gas phase ion energetics data, References, Notes

Data compiled by: Klaus P. Huber and Gerhard H. Herzberg

Data collected through January, 1975

Symbols used in the table of constants
Symbol	Meaning
State	electronic state and / or symmetry symbol
T_e	minimum electronic energy (cm^-1)
ω_e	vibrational constant – first term (cm^-1)
ω_ex_e	vibrational constant – second term (cm^-1)
ω_ey_e	vibrational constant – third term (cm^-1)
B_e	rotational constant in equilibrium position (cm^-1)
α_e	rotational constant – first term (cm^-1)
γ_e	rotation-vibration interaction constant (cm^-1)
D_e	centrifugal distortion constant (cm^-1)
β_e	rotational constant – first term, centrifugal force (cm^-1)
r_e	internuclear distance (Å)
Trans.	observed transition(s) corresponding to electronic state
ν₀₀	position of 0-0 band (units noted in table)

Diatomic constants for ⁶³CuH
State	T_e	ω_e	ω_ex_e	ω_ey_e	B_e	α_e	γ_e	D_e	β_e	r_e	Trans.	ν₀₀
D ¹Π	(44699)	[1804.0] Z	(55)		7.72 1	0.31		0.00047₆	6.8E-0₅	1.484	D ← X R	44651.2 Z
D ¹Π	↳missing citation
d ³Π_r	(41000) 2 3	1760 3			[7.8] 3			[0.0010] 3		[1.48]		40920 4 3
d ³Π_r	↳Ringstrom, 1968
E ¹Σ⁺	39299	574 5 Z	-3.₆ 6	-0.27	3.09₃ 5	-0.03₆ 6	-0.0048	0.00038	-0.000008	2.34₄	E ← X R	38626 5
E ¹Σ⁺	↳Ringstrom, 1968
b Δ₂	(28470)	[1475] 7			[(6.7)] 7					[(1.5₉)]	b ← X R	(28250) 7
b Δ₂	↳Ringstrom, 1966
State	T_e	ω_e	ω_ex_e	ω_ey_e	B_e	α_e	γ_e	D_e	β_e	r_e	Trans.	ν₀₀
e (³Π₂) 2					[>6.2₂] 8					[<1.65]		>27958 4 8
e (³Π₂) 2	↳Ringstrom, 1966
c 1	(28161)	[1388.7] Z	(85)		6.43 9	0.42				1.62₆	c ↔ X R	27957.5 Z
c 1	↳Heimer, 1935; Heimer, 1937; Ringstrom, 1966
C 1	27270.4	1627.3 Z	86.0 10		6.553 11	0.352 12		[0.000476] 12		1.610₄	C ↔ X R	27101.3 Z
C 1	↳Heimer, 1935; Heimer, 1937; missing citation
a (³Σ⁺)					[(5.9)] 13							(26365) 4 13
a (³Σ⁺)	↳Heimer, 1937; Ringstrom, 1966
State	T_e	ω_e	ω_ex_e	ω_ey_e	B_e	α_e	γ_e	D_e	β_e	r_e	Trans.	ν₀₀
B ³Π₀₊	26420.9	1669.7 14 Z	51.2		6.582	0.290 14		[0.000405] 14		1.606₉	B ↔ X R	26281.7 Z
B ³Π₀₊	↳Heimer and Heimer, 1933; Heimer, 1937; Ringstrom, 1966
A ¹Σ⁺	23434.2	1698.4 Z	44.0 15		6.874 16	0.263 15		0.000435 15	0.000022	1.5724	A ↔ X R	23311.1 Z
A ¹Σ⁺	↳Heimer and Heimer, 1933; Heimer, 1937; Loginov, 1964; Ringstrom, 1966
X ¹Σ⁺	0	1941.26 Z	37.51	0.06₇	7.9441	0.2563	0.0015	0.000520	-7.3E-0₆	1.46263

Notes

Λ-type doubling Δν_ef = +0.047J(J+1); J < 15.

A ~ +117.

From perturbations in E ¹Σ⁺; vibrational numbering uncertain.

T₀, referring to X ¹Σ⁺(v=0).

Lowest observed level is v=3. Numerous perturbations in v=4...11 by three levels of d ³Π_r.

missing note

v=0,1 interact with v=1,2, respectively, of C 1. Deperturbed constants for v=1. (e levels) are B = 6.36₄, D = 7.6E-4.

From a perturbation in v=0 of c 1.

Deperturbed constants; v=0 interacts with Ω = 2(v=0), v=1 with B ³Π₀₊(v=2). Ω-type doubling Δν_ef(v=0) ~ +0.055J(J+1).

ΔG(5/2) ~ 1100.

Ω-type doubling; Δν_ef(v=0) ~ 0.022J(J+1) +...; Δν_ef(v=1) ~ 0.060J(J+1)+...; Δν_ef(v=2) ~ 0.095J(J+1) +... (deperturbed).

Deperturbed constants; B₂ = 5.47, B₃ < 4.7. D₀ refers to e levels, D₁ ~ 3.2E-4, D₂ = 6.8E-4. Perturbations by levels of b Δ₂.

From a perturbation in B ³Π₀₊(v=0). Very uncertain.

Deperturbed constants; B₂ = 5.83; D₁ = 4.95E-4, D₂ ~ 7.8E-4. Perturbations by levels of A ¹Σ⁺, a (³Σ⁺), c 1.

v= 2,3,4 perturbed by B ³Π₀₊(v=0,1,2). (Deperturbed) constants for v = 2, ..., 6 are B_v(v=2)=6.199, D_v(v=2) =4.92E-4cm^-1, ΔG(v+1/2)(v=2)= 1427.0; B_v(v=3)=5.885, D_v(v=3)=5.22E-4cm^-1, ΔG(v+1/2)(v=3)= 1319.7; B_v(v=4)=5.540, D_v(v=4)=6.3E-4cm^-1, ΔG(v+1/2)(v=4)= 1166.8; B_v(v=5)=5.144, D_v(v=5)=7.39E-4cm^-1, ΔG(v+1/2)(v=5)= 1020.5; B_v(v=6)=4.576, D_v(v=6)=8.8E-4cm^-1.

Predissociation above v=0, J=0 Herzberg and Mundie, 1940 caused by an unstable ³Σ⁺ state from Cu, ²S + H, ²S See also Kleman, 1953.

Extrapolation of A ¹Σ⁺ to the limit Cu(²D_5/2) + H(²S). Predissociation in A ¹Σ⁺ gives < 2.89 eV, flame photometry Bulewicz and Sugden, 1956 2.86eV.

From a combination of Ringstrom's data for v=0, 1, 2 and Heimer's data for v=3, 4. ω_ey_e= +0.06₇, γ_e= +0.0015.

References

Go To: Top, Gas phase ion energetics data, Constants of diatomic molecules, Notes

Calvi, Andrews, et al., 2007
Calvi, R.M.D.; Andrews, D.H.; Lineberger, W.C., Negative ion photoelectron spectroscopy of copper hydrides, Chem. Phys. Lett., 2007, 442, 1-3, 12-16, https://doi.org/10.1016/j.cplett.2007.05.060 . [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]

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

Ringstrom, 1968
Ringstrom, U., A new band system of copper hydride in the far ultraviolet, Can. J. Phys., 1968, 46, 2291. [all data]

Ringstrom, 1966
Ringstrom, U., On the spectra of copper hydride and copper deuteride, Ark. Fys., 1966, 32, 211. [all data]

Heimer, 1935
Heimer, T., Neue bandensysteme des kupferhydrids, Z. Phys., 1935, 95, 321. [all data]

Heimer, 1937
Heimer, A., Dissertation, Stockholm, 1937, 0. [all data]

Heimer and Heimer, 1933
Heimer, A.; Heimer, T., Uber das bandenspektrum des kupferhydrids, Z. Phys., 1933, 84, 222. [all data]

Loginov, 1964
Loginov, V.A., The production of electronic band spectra by the exploding wire method, Opt. Spectrosc. Engl. Transl., 1964, 16, 220, In original 402. [all data]

Herzberg and Mundie, 1940
Herzberg, G.; Mundie, L.G., On the predissociation of several diatomic molecules, J. Chem. Phys., 1940, 8, 263. [all data]

Kleman, 1953
Kleman, B., The intensity anomalies in the band-spectrum of CuH, Ark. Fys., 1953, 6, 17. [all data]

Bulewicz and Sugden, 1956
Bulewicz, E.M.; Sugden, T.M., Determination of the dissociation constants and heats of formation of molecules by flame photometry. Part 2. Heat of formation of gaseous cuprous hydride, Trans. Faraday Soc., 1956, 52, 1475. [all data]

Notes

Go To: Top, Gas phase ion energetics data, Constants of diatomic molecules, References

Symbols used in this document:

EA Electron affinity

Δ_rH° Enthalpy of reaction at standard conditions
Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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EA	Electron affinity
Δ_rH°	Enthalpy of reaction at standard conditions