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thallium fluoride

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 205Tl19F
Rao and Rao, 1955 report emission bands in the region 28500 - 29500 cm-1; uncertain.
Absorption continua at ~ 45400 and above 50000 cm-1.
missing citation
C (1Pi) (45546) [346] H 1         C larrow X R 45481 H
missing citation
Absorption continuum at ~ 38400 cm-1.
Howell, 1937
B 3Pi1 36863.08 366.64 10.22 -1.155 0.22492 0.00307 -9.05E-4 [3.92E-7] 2  2.0762 B lrarrow X R 36805.63 Z
missing citation; Barrow, Cheall, et al., 1958
A 3Pi0+ 35186.02 436.3 7.1 -0.1 0.23091 0.00274 -1.35E-4 2.81E-7 2.2E-7 2.0491 A lrarrow X VR 35164.31 Z
missing citation; Barrow, Cheall, et al., 1958
X 1Sigma+ 0 477.3 2.3  0.223150163 0.001503850 3 3.142E-6 1.948E-7  2.084438  
Brom and Franzen, 1971; Lesiecki and Nibler, 1975
Rotation sp.
Ritchie and Lew, 1965; Hoeft, Lovas, et al., 1970; Dijkerman, Flegel, et al., 1972; Honerjager and Tischer, 1973; Lovas and Tiemann, 1974
Mol. beam el. reson. 4
Graff, Paul, et al., 1958; Graff, 1959; Drechsler and Graff, 1961; Boeckh, Graff, et al., 1964


1Only v=0 and 1. 7
2D1 = 5.22E-7, D2 = 6.73E-7.
3 Dijkerman, Flegel, et al., 1972
4muel = 4.1936+ 0.0691(v+1/2) D Boeckh, Graff, et al., 1964; gJ = -0.05356 muN Boeckh, Graff, et al., 1964.
5Photoionization mass-spectrometry Berkowitz and Walter, 1968; good agreement with thermochemical results [ Barrow, 1960 and references given in Berkowitz and Walter, 1968]; similar results by equilibrium mass-spectrometry Murad, Hildenbrand, et al., 1966 and flame photometry Bulewicz, Phillips, et al., 1961.
6Adiabatic potential from the photoelectron spectrum Dehmer, Berkowitz, et al., 1973.
7According to Barrow, 1960 [see Table 3, Note c of this reference) the vibrational analysis is uncertain and the 0-0 band may lie at 45010 cm-1.
8Both A and B have small potential humps of ~ 0.18 eV.
9IR and Raman spectra in argon and krypton matrices.
10D00(TlF) + I.P.(Tl) - I.P.(TlF).


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

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]

Howell, 1937
Howell, H.G., The spectrum of thallium fluoride, Proc. R. Soc. London A, 1937, 160, 242. [all data]

Barrow, Cheall, et al., 1958
Barrow, R.F.; Cheall, H.F.K.; Thomas, P.M.; Zeeman, P.B., Rotational analysis of bands of the A3«PI»0+, B3«PI»1-X1«SIGMA»+ systems of thallous fluoride, Proc. Phys. Soc. London, 1958, 71, 128. [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]

Ritchie and Lew, 1965
Ritchie, R.K.; Lew, H., Rotational spectra of TlF by the molecular beam electric resonance method, Can. J. Phys., 1965, 43, 1701. [all data]

Hoeft, Lovas, et al., 1970
Hoeft, J.; Lovas, F.J.; Tiemann, E.; Torring, T., Microwave absorption spectra of AlF, GaF, InF, and TlF, Z. Naturforsch. A, 1970, 25, 1029. [all data]

Dijkerman, Flegel, et al., 1972
Dijkerman, H.; Flegel, W.; Graff, G.; Monter, B., Beitrage zum Stark-Effekt der molekule 205Tl19F und 39K19F, Z. Naturforsch. A, 1972, 27, 100. [all data]

Honerjager and Tischer, 1973
Honerjager, R.; Tischer, R., Hochtemperatur-Mikrowellenspektrometer fur Zeeman-Effekt-Messungen an diamagnetischen Molekeln. gJ - Faktor von TlF, CsF, CsCl, CsBr, CsI und Anistropie der magnetischen suszeptibilitat von TlF, CsF und CsCl, Z. Naturforsch. A, 1973, 28, 458. [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]

Graff, Paul, et al., 1958
Graff, G.; Paul, W.; Schlier, C., Messung der Hyperfeinstruktur des Thalliumfluorids mit der Molekulstrahlresonanzmethode, Z. Phys., 1958, 153, 38. [all data]

Graff, 1959
Graff, G., Bestimmung von elektrischen Dipolmomenten des TlF mit einer Molekulstrahl-Resonanzapparatur, Z. Phys., 1959, 155, 433. [all data]

Drechsler and Graff, 1961
Drechsler, W.; Graff, G., Bestimmung von Molekuleigenschaften des Tl205F19 aus kombinierten Stark-Zeeman-Effekt-Messungen mit der Molekularstrahlmethode, Z. Phys., 1961, 163, 165. [all data]

Boeckh, Graff, et al., 1964
Boeckh, R.V.; Graff, G.; Ley, R., Die Abhangigkeit innerer und au«beta»erer Wechselwirkungen des TIF-Molekuls von der Schwingung, Rotation und Isotopie, Z. Phys., 1964, 179, 285. [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]

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]

Murad, Hildenbrand, et al., 1966
Murad, E.; Hildenbrand, D.L.; Main, R.P., Dissociation energies of group IIIA monofluorides-the possibility of potential maxima in their excited H states,, J. Chem. Phys., 1966, 45, 263. [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]

Dehmer, Berkowitz, et al., 1973
Dehmer, J.L.; Berkowitz, J.; Cusachs, L.C., Photoelectron spectroscopy of high-temperature vapors. III. Monomer and dimer spectra of thallous fluoride, J. Chem. Phys., 1973, 58, 5681. [all data]


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