copper iodide
- Formula: CuI
- Molecular weight: 190.450
- IUPAC Standard InChI: InChI=1S/Cu.HI/h;1H/q+1;/p-1
- IUPAC Standard InChIKey: LSXDOTMGLUJQCM-UHFFFAOYSA-M
- CAS Registry Number: 7681-65-4
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
The 3d structure may be viewed using Java or Javascript. - Other names: Copper(I) iodide
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Constants of diatomic molecules
Go To: Top, 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 |
|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 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 | ||||||||||||
| State | Te | ωe | ωexe | ωeye | Be | αe | γe | De | βe | re | Trans. | 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
| 1 | Rotational 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. |
| 2 | Recalculated from Pandey, Upadhya, et al., 1968. |
| 3 | Dv= +3.12E-7(v+1/2)2 - 1.3E-9(v+1/2)3. |
| 4 | He = -2.288E-15. |
| 5 | Microwave sp. 8 |
| 6 | Thermochemical value Brewer and Lofgren, 1950. |
| 7 | Bands previously assigned to a B-X system are now known to be due to Cu2 Kleman and Lindkvist, 1954. |
| 8 | Also value for eqQ(127I). |
References
Go To: Top, 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.
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
Go To: Top, Constants of diatomic molecules, References
- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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