thallium iodide
- Formula: ITl
- Molecular weight: 331.2878
- IUPAC Standard InChI: InChI=1S/HI.Tl/h1H;/q;+1/p-1
- IUPAC Standard InChIKey: CMJCEVKJYRZMIA-UHFFFAOYSA-M
- CAS Registry Number: 7790-30-9
- 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: Thallium monoiodide
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Gas phase ion energetics data
Go To: Top, 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 evaluated as indicated in comments:
L - Sharon G. Lias
Data compiled as indicated in comments:
LBLHLM - Sharon G. Lias, John E. Bartmess, Joel F. Liebman, John L. Holmes, Rhoda D. Levin, and W. Gary Mallard
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| IE (evaluated) | 8.47 ± 0.02 | eV | N/A | N/A | L |
Ionization energy determinations
| IE (eV) | Method | Reference | Comment |
|---|---|---|---|
| 8.47 ± 0.02 | PE | Bancroft and Bristow, 1983 | LBLHLM |
| 8.47 ± 0.02 | PE | Berkowitz, 1972 | LLK |
| 8.47 ± 0.02 | PI | Berkowitz, 1971 | LLK |
| 8.469 | PI | Berkowitz and Chupka, 1966 | RDSH |
| 8.7 | PE | Bancroft and Bristow, 1983 | Vertical value; LBLHLM |
| 8.89 | PE | Egdell and Orchard, 1978 | Vertical value; LLK |
| 8.93 | PE | Evans, 1972 | Vertical value; LLK |
Appearance energy determinations
| Ion | AE (eV) | Other Products | Method | Reference | Comment |
|---|---|---|---|---|---|
| I+ | 13.4 ± 0.1 | Tl | EI | Khvostenko and Sultanov, 1965 | RDSH |
| Tl+ | 5.80 ± 0.05 | I- | PI | Berkowitz and Chupka, 1966 | RDSH |
| Tl+ | 8.875 | I | PI | Berkowitz and Chupka, 1966 | RDSH |
Constants of diatomic molecules
Go To: Top, 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 November, 1977
| 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 |
|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | ||||||||||||
| ↳missing citation | ||||||||||||
| C (1Π) 2 | 1 | |||||||||||
| ↳Butkow, 1929; missing citation | ||||||||||||
| 1 | ||||||||||||
| ↳missing citation | ||||||||||||
| Further emission bands have been reported by Rao and Rao, 1949 Rao and Rao, 1955 in the regions 15800 - 18000 and 27100 - 27900 cm-1. | ||||||||||||
| State | Te | ωe | ωexe | ωeye | Be | αe | γe | De | βe | re | Trans. | ν00 |
| A 3Π0+ | (30) 3 | A ↔ X 1 | (26250) | |||||||||
| ↳Butkow and Terenin, 1928; Butkow, 1929; missing citation; missing citation; missing citation | ||||||||||||
| X 1Σ+ | 0 | (150) 4 | 0.02716761 | 0.00006635 | (3.6E-9) | 2.813676 5 | ||||||
| ↳Brom and Franzen, 1971 | ||||||||||||
| Microwave sp. 6 | ||||||||||||
| ↳Happ, 1957; Barrett and Mandel, 1958; Fitzky, 1958; Lovas and Tiemann, 1974 | ||||||||||||
| Mol. beam rf el. reson. 7 | ||||||||||||
| ↳Stephenson, Dickinson, et al., 1970 | ||||||||||||
Notes
| 1 | Absorption cross sections Davidovits and Bellisio, 1969. |
| 2 | Absorption continuum with maximum at 33050 cm-1. |
| 3 | Broad fluctuations in absorption. |
| 4 | ΔG(1/2) = 143.0 cm-1 Brom and Franzen, 1971 in argon at 10 K. |
| 5 | IR spectrum 4 |
| 6 | μel(v=0) = 4.61 D Tiemann, 1971, from Stark effect of rotation spectra Tiemann, 1971. |
| 7 | Hfs constants. |
| 8 | Photoionization mass-spectrometry Berkowitz and Chupka, 1966; similar values are obtained from thermochemical data Barrow, 1960, by flame photometry Bulewicz, Phillips, et al., 1961, and by photofragment spectroscopy Kawasaki, Litvak, et al., 1977. |
| 9 | Photoionization mass-spectrometry Berkowitz and Chupka, 1966 and photo-electron spectroscopy Berkowitz, 1972. |
| 10 | D00(TlI) + I.P.(Tl) - I.P.(TlI). |
References
Go To: Top, 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.
Bancroft and Bristow, 1983
Bancroft, G.M.; Bristow, D.J.,
High resolution HeI and HeII photoelectron spectra of the thallium halides: Valence bands and Tl 5d ligand field splittings,
Can. J. Chem., 1983, 61, 2669. [all data]
Berkowitz, 1972
Berkowitz, J.,
Photoelectron spectroscopy of high-temperature vapors. I. TlCl, TlBr, and TlI,
J. Chem. Phys., 1972, 56, 2766. [all data]
Berkowitz, 1971
Berkowitz, J.,
Photoionization mass spectrometry photoelectron spectroscopy of high temperature vapor,
Adv. High Temp. Chem., 1971, 3, 123. [all data]
Berkowitz and Chupka, 1966
Berkowitz, J.; Chupka, W.A.,
Photoionization of high-temperature vapors. I. The iodides of sodium, magnesium, and thallium,
J. Chem. Phys., 1966, 45, 1287. [all data]
Egdell and Orchard, 1978
Egdell, R.G.; Orchard, A.F.,
He(II) Photoelectron spectra of indium(I) and thallium(I) halides,
J. Chem. Soc. Faraday Trans. 2, 1978, 74, 1179. [all data]
Evans, 1972
Evans, S.,
General discussion,
Faraday Discuss. Chem. Soc., 1972, 54, 143. [all data]
Khvostenko and Sultanov, 1965
Khvostenko, V.I.; Sultanov, A.Sh.,
Ionisation of thallium(I) chloride, bromide, and iodide molecules by electron bombardment,
Zh. Fiz. Khim., 1965, 39, 475, In original 252. [all data]
Butkow, 1929
Butkow, K.,
Absorptionsspektren und art der chemischen bindung der thallohalogenide im dampfzustande,
Z. Phys., 1929, 58, 232. [all data]
Rao and Rao, 1949
Rao, P.T.; Rao, K.R.,
Band spectrum of thallium iodide,
Indian J. Phys., 1949, 23, 185. [all data]
Rao and Rao, 1955
Rao, J.V.R.; Rao, P.T.,
The band spectra of thallium iodide and fluoride,
Indian J. Phys., 1955, 29, 20. [all data]
Butkow and Terenin, 1928
Butkow, K.; Terenin, A.,
Optische anregung und dissoziation einiger halogensalze,
Z. Phys., 1928, 49, 865. [all data]
Brom and Franzen, 1971
Brom, J.M., Jr.; Franzen, H.F.,
Infrared spectra and structure of matrix isolated thallous halides,
J. Chem. Phys., 1971, 54, 2874. [all data]
Happ, 1957
Happ, H.,
Das Mikrowellenspektrum von TlJ und BiCl3 im 3 cm - und 1,5 cm-Band,
Z. Phys., 1957, 147, 567. [all data]
Barrett and Mandel, 1958
Barrett, A.H.; Mandel, M.,
Microwave spectra of the Tl, In, and Ga monohalides,
Phys. Rev., 1958, 109, 1572. [all data]
Fitzky, 1958
Fitzky, H.G.,
Das Mikrowellenrotationsspektrum der Thallium I-Halogenide,
Z. Phys., 1958, 151, 351. [all data]
Lovas and Tiemann, 1974
Lovas, F.J.; Tiemann, E.,
Microwave spectral tables. I. Diatomic molecules,
J. Phys. Chem. Ref. Data, 1974, 3, 609. [all data]
Stephenson, Dickinson, et al., 1970
Stephenson, D.A.; Dickinson, J.T.; Zorn, J.C.,
Hyperfine structure of thallium iodide and an upper limit for the electric hexadecapole moment of the iodine nucleus,
J. Chem. Phys., 1970, 53, 1529. [all data]
Davidovits and Bellisio, 1969
Davidovits, P.; Bellisio, J.A.,
Ultraviolet Absorption Cross Sections for the Thallium Halide and Silver Halide Vapors,
J. Chem. Phys., 1969, 50, 8, 3560-3567. [all data]
Tiemann, 1971
Tiemann, E.,
Elektrisches Dipolmoment von TlBr und TlJ,
Z. Naturforsch. A, 1971, 26, 1809. [all data]
Barrow, 1960
Barrow, R.F.,
Dissociation energies of the gaseous monohalides of boron, aluminium, gallium, indium, and thallium,
Trans. Faraday Soc., 1960, 56, 952. [all data]
Bulewicz, Phillips, et al., 1961
Bulewicz, E.M.; Phillips, L.F.; Sugden, T.M.,
Determination of dissociation constants and heats of formation of simple molecules by flame photometry. Part 8. Stabilities of the gaseous diatomic halides of certain metals,
Trans. Faraday Soc., 1961, 57, 921. [all data]
Kawasaki, Litvak, et al., 1977
Kawasaki, M.; Litvak, H.; Bersohn, R.,
Molecular beam photodissociation of TlI: bond energy and state symmetry,
J. Chem. Phys., 1977, 66, 1434. [all data]
Notes
Go To: Top, Gas phase ion energetics data, Constants of diatomic molecules, References
- Symbols used in this document:
AE Appearance energy IE (evaluated) Recommended ionization energy - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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