copper iodide


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 August, 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 63Cu127I
StateTeωeωexeωeyeBeαeγeDeβereTrans.ν00
E 1Σ+ (0+) 24001.4 229.40 Z 0.95  0.0658 1 0.00036  (0.000000022)  2.468 E ↔ X R 23983.80 Z
Mulliken, 1925; Ritschl, 1927; Nair and Upadhya, 1966; missing citation; missing citation
D 1Π (1) 22957.5 212.8 H 0.92  1      D ↔ X R 22931.6 H
Mulliken, 1925; Ritschl, 1927; missing citation
C 1Σ+ (0+) 21867.3 229.7 H 0.53  [0.0681] 1     [2.426] C ↔ X R 21849.94 Z
Mulliken, 1925; Ritschl, 1927; Nair and Upadhya, 1966, 2; missing citation
A 1Π (1) 19734.2 213.3 H 2.22  0.06761 2 0.00042  (0.000000027)  2.435 A ↔ X R 19708.2 H
Mulliken, 1925; Ritschl, 1927; missing citation
StateTeωeωexeωeyeBeαeγeDeβereTrans.ν00
X 1Σ+ 0 264.5 Z 0.60  0.07328742 0.000283903 3  2.2439E-08 4  2.338324 5  
Manson, De Lucia, et al., 1975

Notes

1Rotational analyses of C-X and E-X by Nair and Upadhya, 1966, 2; analyses of C-X, D-X, E-X by Rao and Apparao, 1966 and of D-X by Nair and Upadhya, 1966, 3 are erroneous or doubtful. See also Nair and Rai, 1967.
2Recalculated from Pandey, Upadhya, et al., 1968.
3Dv= +3.12E-7(v+1/2)2 - 1.3E-9(v+1/2)3.
4He = -2.288E-15.
5Microwave sp. 8
6Thermochemical value Brewer and Lofgren, 1950.
7Bands previously assigned to a B-X system are now known to be due to Cu2 Kleman and Lindkvist, 1954.
8Also value for eqQ(127I).

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.

Mulliken, 1925
Mulliken, R.S., The isotope effect in band spectra, III: the spectrum of copper iodide as excited by active nitrogen, Phys. Rev., 1925, 26, 1. [all data]

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

Nair and Upadhya, 1966
Nair, K.P.R.; Upadhya, K.N., E-X band system of the copper iodide molecule, Nature (London), 1966, 211, 1170. [all data]

Nair and Upadhya, 1966, 2
Nair, K.P.R.; Upadhya, K.N., Rotational analysis of the E-X and C-X band systems of the CuI molecule, Can. J. Phys., 1966, 44, 1267. [all data]

Manson, De Lucia, et al., 1975
Manson, E.L.; De Lucia, F.C.; Gordy, W., Millimeter- and submillimeter-wave spectrum and molecular constants of cuprous iodide, J. Chem. Phys., 1975, 62, 4796. [all data]

Rao and Apparao, 1966
Rao, P.R.; Apparao, K.V.S.R., Structure of the band spectrum of the CuI molecule. I. Rotational structure of the E system of 63Cu127I, Can. J. Phys., 1966, 44, 2241. [all data]

Nair and Upadhya, 1966, 3
Nair, K.P.R.; Upadhya, K.N., Rotational analysis of D-X system of Cu63 I127 molecule, Curr. Sci., 1966, 35, 593. [all data]

Nair and Rai, 1967
Nair, K.P.R.; Rai, D.K., On the internuclear distance of CuI, Can. J. Phys., 1967, 45, 2810. [all data]

Pandey, Upadhya, et al., 1968
Pandey, R.K.; Upadhya, K.N.; Mohanty, B.S., Rotational analysis of the A-X system of Cul molecule, Indian J. Phys., 1968, 42, 154. [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]

Kleman and Lindkvist, 1954
Kleman, B.; Lindkvist, S., The band-spectrum of the Cu2-molecule, Ark. Fys., 1954, 8, 333. [all data]


Notes

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