thallium bromide
- Formula: BrTl
- Molecular weight: 284.287
- IUPAC Standard InChI: InChI=1S/BrH.Tl/h1H;/q;+1/p-1
- IUPAC Standard InChIKey: PGAPATLGJSQQBU-UHFFFAOYSA-M
- CAS Registry Number: 7789-40-4
- 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 monobromide
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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:
LBLHLM - Sharon G. Lias, John E. Bartmess, Joel F. Liebman, John L. Holmes, Rhoda D. Levin, and W. Gary Mallard
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron
Ionization energy determinations
| IE (eV) | Method | Reference | Comment |
|---|---|---|---|
| ~9.0 | PE | Bancroft and Bristow, 1983 | LBLHLM |
| 9.14 ± 0.02 | PI | Berkowitz and Walter, 1968 | RDSH |
| 9.5 | PE | Bancroft and Bristow, 1983 | Vertical value; LBLHLM |
Appearance energy determinations
| Ion | AE (eV) | Other Products | Method | Reference | Comment |
|---|---|---|---|---|---|
| Tl+ | 6.3 | Br- | PI | Berkowitz and Walter, 1968 | RDSH |
| Tl+ | 9.53 ± 0.02 | Br | 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 |
|---|---|---|---|---|---|---|---|---|---|---|---|---|
| D 1 | (D → A) R | |||||||||||
| ↳missing citation; missing citation | ||||||||||||
| Continuous absorption for ν > 40000 cm-1. | ||||||||||||
| ↳Howell and Coulson, 1941; Davidovits and Bellisio, 1969 | ||||||||||||
| C (1Π) 3 | C ← X 2 | |||||||||||
| ↳Butkow, 1929; Howell and Coulson, 1941; missing citation | ||||||||||||
| 2 | ||||||||||||
| ↳missing citation | ||||||||||||
| State | Te | ωe | ωexe | ωeye | Be | αe | γe | De | βe | re | Trans. | ν00 |
| 2 | ||||||||||||
| ↳missing citation; Howell and Coulson, 1941; missing citation | ||||||||||||
| A (3Π0+) | 29191.5 4 | 108.32 H | 5.15 | -0.22 5 | A ↔ X 2 R | 29148.4 H | ||||||
| ↳missing citation; missing citation; Rao, 1949; Rao, 1949, 2 | ||||||||||||
| X 1Σ+ | 0 | 192.10 H | 0.39 | 0.0423895 6 | 0.00012755 | (8.3E-9) | 2.618191 7 | |||||
| ↳Brom and Franzen, 1971 | ||||||||||||
| Microwave sp. 8 | ||||||||||||
| ↳Barrett and Mandel, 1958; Fitzky, 1958; Lovas and Tiemann, 1974 | ||||||||||||
| Mol. beam el. reson. 9 | ||||||||||||
| ↳Dickinson, Stephenson, et al., 1970 | ||||||||||||
Notes
| 1 | Fragments of an emission system at ~25340 cm-1. |
| 2 | Absorption cross sections have been measured by Davidovits and Bellisio, 1969. |
| 3 | Continuous absorption with maximum at 37160 cm-1 12. |
| 4 | Assigned by analogy with TlCl; Howell and Coulson, 1941 assume 3Π1. |
| 5 | Bands having v' ≥ 3 are diffuse. |
| 6 | Lovas and Tiemann, 1974 give rotational constants for four isotopes. |
| 7 | IR Spectrum 13 |
| 8 | Dipole moment of 205Tl79Br: μel(v=0) =4.49 D Tiemann, 1971, from Stark effect of rotation sp. Tiemann, 1971. |
| 9 | Hfs constants for four isotopes in the first five vibrational states. |
| 10 | Photoionization mass-spectrometry Berkowitz and Walter, 1968. In good agreement with spectroscopic and thermochemical results Barrow, 1960, flame photometry Bulewicz, Phillips, et al., 1961, and electron impact mass- spectrometry Khvostenko and Sultanov, 1965. |
| 11 | Photoionization value Berkowitz and Walter, 1968. Notice that this is the adiabatic value corresponding to the second vertical potential (9.83 eV) observed in the photoelectron spectrum Berkowitz, 1972; first vertical I.P. at 9.48 eV. |
| 12 | Howell and Coulson, 1941 report emission continua with maxima at 30020 and 33770 cm-1. |
| 13 | In argon at 10 K. |
| 14 | D00(TlBr) + I.P.(Tl) - I.P.(TlBr). |
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 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]
Howell and Coulson, 1941
Howell, H.G.; Coulson, N.,
The band spectrum of thallium bromide,
Proc. Phys. Soc. London, 1941, 53, 706. [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]
Butkow, 1929
Butkow, K.,
Absorptionsspektren und art der chemischen bindung der thallohalogenide im dampfzustande,
Z. Phys., 1929, 58, 232. [all data]
Rao, 1949
Rao, P.T.,
Thallium isotope effect in the band spectrum of thallium bromide,
Indian J. Phys., 1949, 23, 265. [all data]
Rao, 1949, 2
Rao, P.T.,
New bands in the spectrum of thallium bromide,
Indian J. Phys., 1949, 23, 425. [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]
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]
Dickinson, Stephenson, et al., 1970
Dickinson, J.T.; Stephenson, D.A.; Zorn, J.C.,
Hyperfine structure of thallium bromide,
J. Chem. Phys., 1970, 53, 1525. [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]
Khvostenko and Sultanov, 1965
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]
Berkowitz, 1972
Berkowitz, J.,
Photoelectron spectroscopy of high-temperature vapors. I. TlCl, TlBr, and TlI,
J. Chem. Phys., 1972, 56, 2766. [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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