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thallium iodide

Phase change data

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

Antoine Equation Parameters

log10(P) = A − (B / (T + C))
    P = vapor pressure (bar)
    T = temperature (K)

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Temperature (K) A B C Reference Comment
713. - 1096.4.527924455.55-110.659Stull, 1947Coefficents calculated by NIST from author's data.

Gas phase ion energetics data

Go To: Top, Phase change data, 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 ± 0.02eVN/AN/AL

Ionization energy determinations

IE (eV) Method Reference Comment
8.47 ± 0.02PEBancroft and Bristow, 1983LBLHLM
8.47 ± 0.02PEBerkowitz, 1972LLK
8.47 ± 0.02PIBerkowitz, 1971LLK
8.469PIBerkowitz and Chupka, 1966RDSH
8.7PEBancroft and Bristow, 1983Vertical value; LBLHLM
8.89PEEgdell and Orchard, 1978Vertical value; LLK
8.93PEEvans, 1972Vertical value; LLK

Appearance energy determinations

Ion AE (eV) Other Products MethodReferenceComment
I+13.4 ± 0.1TlEIKhvostenko and Sultanov, 1965RDSH
Tl+5.80 ± 0.05I-PIBerkowitz and Chupka, 1966RDSH
Tl+8.875IPIBerkowitz and Chupka, 1966RDSH

Constants of diatomic molecules

Go To: Top, Phase change data, 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

Symbols used in the table of constants
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 205Tl127I
missing citation
C (1Pi) 2           1 
Butkow, 1929; missing citation
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.
A 3Pi0+  (30) 3         A lrarrow X 1 (26250)
Butkow and Terenin, 1928; Butkow, 1929; missing citation; missing citation; missing citation
X 1Sigma+ 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


1Absorption cross sections Davidovits and Bellisio, 1969.
2Absorption continuum with maximum at 33050 cm-1.
3Broad fluctuations in absorption.
4DeltaG(1/2) = 143.0 cm-1 Brom and Franzen, 1971 in argon at 10 K.
5IR spectrum 4
6muel(v=0) = 4.61 D Tiemann, 1971, from Stark effect of rotation spectra Tiemann, 1971.
7Hfs constants.
8Photoionization 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.
9Photoionization mass-spectrometry Berkowitz and Chupka, 1966 and photo-electron spectroscopy Berkowitz, 1972.
10D00(TlI) + I.P.(Tl) - I.P.(TlI).


Go To: Top, Phase change data, 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.

Stull, 1947
Stull, Daniel R., Vapor Pressure of Pure Substances. Organic and Inorganic Compounds, Ind. Eng. Chem., 1947, 39, 4, 517-540, https://doi.org/10.1021/ie50448a022 . [all data]

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]


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