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thallium chloride

Gas phase ion energetics 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.

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)9.70 ± 0.03eVN/AN/AL

Ionization energy determinations

IE (eV) Method Reference Comment
9.70PEBancroft and Bristow, 1983LBLHLM
9.70 ± 0.03PIBerkowitz and Walter, 1968RDSH
9.8PEBancroft and Bristow, 1983Vertical value; LBLHLM
9.92PEEgdell and Orchard, 1978Vertical value; LLK
9.91PEEvans and Orchard, 1975Vertical value; LLK
9.894PEBerkowitz, 1972Vertical value; LLK
9.925PEBerkowitz, 1971Vertical value; LLK

Appearance energy determinations

Ion AE (eV) Other Products MethodReferenceComment
Cl+16.9 ± 0.1TlEIKhvostenko and Sultanov, 1965RDSH
Tl+7.01Cl-PIBerkowitz and Walter, 1968RDSH
Tl+9.93 ± 0.02ClPIBerkowitz and Walter, 1968RDSH

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, 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 205Tl35Cl
D 1           (D rarrow A) RV (24628)
missing citation; missing citation
D           (D rarrow A) RV (24040)
missing citation; missing citation
Continuous absorption for nu > 40000 cm-1.
Howell and Coulson, 1938; Davidovits and Bellisio, 1969
C (1Pi) 3           C larrow X 2 
missing citation; missing citation
missing citation; missing citation
missing citation; missing citation
A 3Pi0+ 31049.4 (223.1) 4 (Z) 11.4 5 1.33 0.092270 6 0.00131  0.75E-7  2.4730 A lrarrow X 2 R (31016.6) (Z)
missing citation; missing citation; Barrow, 1957
X 1Sigma+ 0 (283.75) 4 (Z) 0.818  0.091397022 0.000397932 7 4.170E-7 0.3753E-7  2.484826 8  
Brom and Franzen, 1971; Lesiecki and Nibler, 1975
Rotation sp.
Barrett and Mandel, 1958; Fitzky, 1958; De Wijn, 1965; Lovas and Tiemann, 1974
Mol. beam electric and magnetic resonance 9
Carlson, Lee, et al., 1952; Hammerle, Dickinson, et al., 1969; Ley and Schauer, 1972; Zeiger and Bolef, 1952


1Complex system of emission bands; tentative vibrational analysis Rao, 1949.
2Absorption cross sections Davidovits and Bellisio, 1969.
3Continuous absorption with maximum at 39820 cm-1, preceded by diffuse bands of longer wavelengths.
4Vibrational constants of Miescher, 1941 whose measurements at higher dispersion are more extensive than those of Howell and Coulson, 1938. Rotational analyses Barrow, 1957 give DeltaG'(1/2) = 201.60 Barrow, 1957, DeltaG"(1/2) = 281.88 Barrow, 1957.
5omegaeze = -0.115.
6Predissociation for v' geq 4; see Miescher, 1941.
7From De Wijn, 1965 who gives rotational constants for all four TlCl isotopes. See also Lovas and Tiemann, 1974.
8Vibration sp. 12
9muel = 4.5153 + 0.05527(v+1/2) + 0.000078(v+1/2)2 D Ley and Schauer, 1972; from Ley and Schauer, 1972 who give also hfs constants and magnetic parameters for v = 0...3.
10Photoionization mass-spectrometry Berkowitz and Walter, 1968; good agreement with thermochemical and spectroscopic values Barrow, 1960, Barrow, 1960, 2, electron impact mass-spectrometry Khvostenko and Sultanov, 1965, 2, and flame photometry Bulewicz, Phillips, et al., 1961.
11Photoionization value Berkowitz and Walter, 1968. As for TlBr, this adiabatic potential corresponds to the second rather than first vertical potential observed by photoelectron spectroscopy Berkowitz, 1972.
12IR and Raman spectra in argon and krypton matrices.
13D00(TlCl) + I.P.(Tl) - I.P.(TlCl).


Go To: Top, Gas phase ion energetics data, Constants of diatomic molecules, NIST Free Links, 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 and Walter, 1968
Berkowitz, J.; Walter, T.A., Photoionization of high-temperature vapors. IV.TIF, TICI, and TIBr, J. Chem. Phys., 1968, 49, 1184. [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 and Orchard, 1975
Evans, S.; Orchard, A.F., The vapour phase ultra-violet photoelectron spectroscopy of metal halides at elevated temperatures, J. Electron Spectrosc. Relat. Phenom., 1975, 6, 207. [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]

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]

Howell and Coulson, 1938
Howell, H.G.; Coulson, N., The spectrum of thallium chloride, Proc. R. Soc. London A, 1938, 166, 238. [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]

Barrow, 1957
Barrow, R.F., On the rotational analysis of bands of the A3«PI»0+-X1«SIGMA»+ system of TlCl, Proc. Phys. Soc. London Sect. A, 1957, 70, 622. [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]

Lesiecki and Nibler, 1975
Lesiecki, M.L.; Nibler, J.W., Infrared and Raman spectra and structures of matrix isolated thallous halide dimers: Tl2F2 and Tl2Cl2, J. Chem. Phys., 1975, 63, 3452. [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]

De Wijn, 1965
De Wijn, H.W., Two-quantum transitions in the microwave rotational spectra of thallium mono-chloride, Physica (Amsterdam), 1965, 31, 1557. [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]

Carlson, Lee, et al., 1952
Carlson, R.O.; Lee, C.A.; Fabricand, B.P., The molecular beam electric resonance method study of thallium monochloride, Phys. Rev., 1952, 85, 784. [all data]

Hammerle, Dickinson, et al., 1969
Hammerle, R.H.; Dickinson, J.T.; VanAusdal, R.G.; Stephenson, D.A.; Zorn, J.C., Hyperfine structure of thallium chloride, J. Chem. Phys., 1969, 50, 2086. [all data]

Ley and Schauer, 1972
Ley, R.; Schauer, W., Molekulstrahl-Resonanz-Messungen von Hyperfeinstruktur, Zeeman und Stark-Effekt an TlCl-Isotopen in verschiedenen Schwingungszustanden, Z. Naturforsch. A, 1972, 27, 77. [all data]

Zeiger and Bolef, 1952
Zeiger, H.J.; Bolef, D.I., Molecular beam magnetic resonance spectra of TlCl35 and TlCl37 at zero field, Phys. Rev., 1952, 85, 788. [all data]

Rao, 1949
Rao, P.T., New band systems of the TlCl molecule, Indian J. Phys., 1949, 23, 393. [all data]

Miescher, 1941
Miescher, E., Bandenspektren von thalliumchlorid, Helv. Phys. Acta, 1941, 14, 148. [all data]

Barrow, 1960
Barrow, R.F., The heat of sublimation and energy of dissociation of thallous chloride, Proc. Phys. Soc. London, 1960, 75, 933. [all data]

Barrow, 1960, 2
Barrow, R.F., Dissociation energies of the gaseous monohalides of boron, aluminium, gallium, indium, and thallium, Trans. Faraday Soc., 1960, 56, 952. [all data]

Khvostenko and Sultanov, 1965, 2
Khvostenko, V.I.; Sultanov, A.Sh., Ionisation of thallium(I) chloride, bromide, and iodide molecules by electron bombardment, Russ. J. Phys. Chem. Engl. Transl., 1965, 39, 252, In original 475. [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]


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