thallium fluoride
- Formula: FTl
- Molecular weight: 223.3817
- IUPAC Standard InChI: InChI=1S/FH.Tl/h1H;/q;+1/p-1
- IUPAC Standard InChIKey: CULOEOTWMUCRSJ-UHFFFAOYSA-M
- CAS Registry Number: 7789-27-7
- 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 monofluoride
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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 compiled as indicated in comments:
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron
Ionization energy determinations
| IE (eV) | Method | Reference | Comment |
|---|---|---|---|
| 10.52 | PE | Dehmer, Berkowitz, et al., 1973 | LLK |
| 11.2 ± 0.5 | EI | Murad, Hildenbrand, et al., 1966 | RDSH |
| 10.80 ± 0.02 | PE | Streets and Berkowitz, 1976 | Vertical value; LLK |
Appearance energy determinations
| Ion | AE (eV) | Other Products | Method | Reference | Comment |
|---|---|---|---|---|---|
| Tl+ | 10.68 | F | PI | Berkowitz and Walter, 1968 | RDSH |
| Tl+ | 7.59 | F- | PI | Berkowitz and Walter, 1968 | 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 |
|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 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 (1Π) | (45546) | [346] H 1 | C ← X R | 45481 H | ||||||||
| ↳missing citation | ||||||||||||
| Absorption continuum at ~ 38400 cm-1. | ||||||||||||
| ↳Howell, 1937 | ||||||||||||
| State | Te | ωe | ωexe | ωeye | Be | αe | γe | De | βe | re | Trans. | ν00 |
| B 3Π1 | 36863.08 | 366.64 | 10.22 | -1.155 | 0.22492 | 0.00307 | -9.05E-4 | [3.92E-7] 2 | 2.0762 | B ↔ X R | 36805.63 Z | |
| ↳missing citation; Barrow, Cheall, et al., 1958 | ||||||||||||
| A 3Π0+ | 35186.02 | 436.3 | 7.1 | -0.1 | 0.23091 | 0.00274 | -1.35E-4 | 2.81E-7 | 2.2E-7 | 2.0491 | A ↔ X VR | 35164.31 Z |
| ↳missing citation; Barrow, Cheall, et al., 1958 | ||||||||||||
| X 1Σ+ | 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 | ||||||||||||
Notes
| 1 | Only v=0 and 1. 7 |
| 2 | D1 = 5.22E-7, D2 = 6.73E-7. |
| 3 | Dijkerman, Flegel, et al., 1972 |
| 4 | μel = 4.1936+ 0.0691(v+1/2) D Boeckh, Graff, et al., 1964; gJ = -0.05356 μN Boeckh, Graff, et al., 1964. |
| 5 | Photoionization 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. |
| 6 | Adiabatic potential from the photoelectron spectrum Dehmer, Berkowitz, et al., 1973. |
| 7 | According 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. |
| 8 | Both A and B have small potential humps of ~ 0.18 eV. |
| 9 | IR and Raman spectra in argon and krypton matrices. |
| 10 | D00(TlF) + I.P.(Tl) - I.P.(TlF). |
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.
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]
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]
Streets and Berkowitz, 1976
Streets, D.G.; Berkowitz, J.,
The structure of Tl2F2 from photoelectron spectroscopy,
Chem. Phys. Lett., 1976, 38, 475. [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]
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 A3Π0+, B3Π1-X1Σ+ 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 auβerer Wechselwirkungen des TIF-Molekuls von der Schwingung, Rotation und Isotopie,
Z. Phys., 1964, 179, 285. [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]
Notes
Go To: Top, Gas phase ion energetics data, Constants of diatomic molecules, References
- Symbols used in this document:
AE Appearance energy - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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