copper bromide

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 November, 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 63Cu79Br
StateTeωeωexeωeyeBeαeγeDeβereTrans.ν00
D (1Σ+) 25538.6 281.9 H 1.35        D → X R 25522.1 H
↳missing citation
C 1Σ+ (0+) 23460.9 294.7 1 Z 1.06  0.0942 1 0.00041  0.00000003  2.261 C ↔ X R 23450.9 Z
↳Ritschl, 1927; missing citation
B (1Π) 23044.7 284.22 H 1.32        B ↔ X 2 R 23029.3 H
↳Ritschl, 1927
A (1Π) 20498.5 296.13 H 1.01        A ↔ X 2 R 20489.2 H
↳Ritschl, 1927
StateTeωeωexeωeyeBeαeγeDeβereTrans.ν00
X 1Σ+ 0 314.8 $bZ 0.96  0.10192625 0.00045214 3  4.2737E-08 4 -1.87E-11 2.173441 5  
↳Manson, De Lucia, et al., 1975

Notes

1Vibrational and rotational constants derived from data for the C-X system of 63Cu81Br [Tables II and III of Rao and Apparao, 1967] using μi/μ = 1.01108.
2These bands appear to have R and Q heads Rao and Apparao, 1965.
3αv= +6.78E-7(v+1/2)2 - 1.0E-9(v+1/2)3.
4He = -5.074E-15.
5Microwave sp.
6Thermochemical value Brewer and Lofgren, 1950.
7From the corrected Be = 0.1019274.

References

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

Ritschl, 1927
Ritschl, R., Uber den bau einer klasse von absorptionsspektren, Z. Phys., 1927, 42, 172. [all data]

Manson, De Lucia, et al., 1975
Manson, E.L.; De Lucia, F.C.; Gordy, W., Millimeter-wave spectrum and molecular constants of cuprous bromide, J. Chem. Phys., 1975, 63, 2724. [all data]

Rao and Apparao, 1967
Rao, P.R.; Apparao, K.V.S.R., Structure of the band spectrum of the CuBr molecule. I. Rotational structure of the C system of 63Cu81Br, Can. J. Phys., 1967, 45, 2805. [all data]

Rao and Apparao, 1965
Rao, P.R.; Apparao, K.V.S.R., A new band system of CuBr molecule, Proc. Indian Acad. Sci. Sect. A, 1965, 60, 57. [all data]

Brewer and Lofgren, 1950
Brewer, L.; Lofgren, N.L., The thermodynamics of gaseous cuprous chloride, monomer and trimer, J. Am. Chem. Soc., 1950, 72, 3038. [all data]

Notes

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