Cesium bromide
- Formula: BrCs
- Molecular weight: 212.809
- IUPAC Standard InChI: InChI=1S/BrH.Cs/h1H;/q;+1/p-1
- IUPAC Standard InChIKey: LYQFWZFBNBDLEO-UHFFFAOYSA-M
- CAS Registry Number: 7787-69-1
- 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: caesium bromide
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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
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron
B - John E. Bartmess
Electron affinity determinations
| EA (eV) | Reference | Comment |
|---|---|---|
| 0.540 ± 0.040 | Miller, Leopold, et al., 1986 | Extrapolated by polarizability and radius from experimental data.; B |
Ionization energy determinations
| IE (eV) | Method | Reference | Comment |
|---|---|---|---|
| 7.3 | PE | Benson, Novak, et al., 1987 | LBLHLM |
| 7.7 ± 0.1 | PE | Potts and Price, 1977 | LLK |
| 7.3 ± 0.2 | PE | Smith and Pong, 1975 | LLK |
| 7.7 ± 0.1 | PE | Potts, Williams, et al., 1974 | LLK |
| 7.46 ± 0.05 | PE | Berkowitz, Dehmer, et al., 1973 | LLK |
| 7.72 ± 0.05 | PI | Berkowitz, 1969 | RDSH |
Appearance energy determinations
| Ion | AE (eV) | Other Products | Method | Reference | Comment |
|---|---|---|---|---|---|
| Cs+ | 8.06 ± 0.05 | Br | PI | Berkowitz, 1969 | RDSH |
| Cs+ | 17.52 ± 0.04 | Br(-) | PE | Potts and Price, 1977 | Vertical value; LLK |
| Cs+ | 18.53 ± 0.04 | Br(-) | PE | Potts and Price, 1977 | Vertical value; LLK |
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, 1976
| 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 |
|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Strong autoionization peaks in the photoelectron spectrum at and above 12.5 eV Berkowitz, 1969; also observed by Geiger and Pfeiffer, 1968 in the energy loss spectrum of 25keV electrons. | ||||||||||||
| ↳Geiger and Pfeiffer, 1968; Berkowitz, 1969 | ||||||||||||
| Absorption continua with maxima at 46900, 39300, 36300 cm-1 Muller, 1927, Barrow and Caunt, 1953, Davidovits and Brodhead, 1967, followed by diffuse absorption (fluctuation) bands 1 in the region 34200 - 27900 cm-1 Muller, 1927, Sommermeyer, 1929, Barrow and Caunt, 1953. The chemiluminescence spectrum 1 Oldenborg, Gole, et al., 1974 consists of a long ground-state vibrational progression which extends from 28000 to 17000 cm-1. | ||||||||||||
| ↳Muller, 1927; Sommermeyer, 1929; Barrow and Caunt, 1953; Davidovits and Brodhead, 1967; Oldenborg, Gole, et al., 1974 | ||||||||||||
| X 1Σ+ | 0 | 149.66 2 | 0.374 2 | 0.03606925 | 0.000124012 3 | 8.3801E-09 4 | 6.4E-12 | 3.072251 5 | ||||
| ↳Honig, Stitch, et al., 1953; Rusk and Gordy, 1962; Miller, Finney, et al., 1973; Honerjager and Tischer, 1974 | ||||||||||||
Notes
| 1 | The absorption and the emission bands arise from transitions between a shallow homopolar upper state (from normal atomic products) and the low- and high-lying vibrational levels, respectively, of the ionic ground state. |
| 2 | Derived from the rotational constants Honerjager and Tischer, 1974. See also Rice and Klemperer, 1957. |
| 3 | αv= +1.02E-7(v+1/2)2 + 3.2E-10(v+1/2)3 Honerjager and Tischer, 1974. |
| 4 | also higher order constants Honerjager and Tischer, 1974. |
| 5 | Microwave sp. 9 |
| 6 | From the threshold for dissociative photoionization, Berkowitz, 1969, in good agreement with the thermochemical value of Brewer and Brackett, 1961; see also Bulewicz, Phillips, et al., 1961, Scheer and Fine, 1962. The value quoted here corresponds to dissociation into normal atoms; see, however, Berry, Cernoch, et al., 1968 who demonstrated that under some conditions (shock waves) the primary dissociation products are ions (Cs+ + Br-) rather than normal atoms in violation of the non-crossing rule. |
| 7 | Photoionization mass-spectrometry Berkowitz, 1969. Average values (photoelectron spectroscopy) for the vertical first and second ionization potentials: 8.12 and 8.51 eV Berkowitz, Dehmer, et al., 1973, Potts, Williams, et al., 1974. |
| 8 | Associated with excitation of an electron from the metal 5p shell. |
| 9 | μel = 10.82 D (molecular beam electric deflection) Story and Hebert, 1976; eqQ(79Br)= -[6.79-0.73(v+1/2)] MHz Hoeft, Tiemann, et al., 1972; gJ(v=0)= (-)0.0099 μN Honerjager and Tischer, 1973. |
| 10 | From I.P.(CsBr) and the threshold energy for dissociative ionization (Cs+ from CsBr), see Berkowitz, 1969. Potts, Williams, et al., 1974 give 0.24 eV. |
| 11 | From the photoelectron spectrum Berkowitz, Dehmer, et al., 1973, Potts, Williams, et al., 1974. The two observed broad peaks (see 7 ) correspond to removal of an electron from the halogen 4p shell. |
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.
Miller, Leopold, et al., 1986
Miller, T.M.; Leopold, D.G.; Murray, K.K.; Lineberger, W.C.,
Electron Affinities of the Alkali Halides and the Structure of their Negative Ions,
J. Chem. Phys., 1986, 85, 5, 2368, https://doi.org/10.1063/1.451091
. [all data]
Benson, Novak, et al., 1987
Benson, J.M.; Novak, I.; Potts, A.W.,
Photoelectron spectroscopy of the caesium halides using synchrotron radiation,
J. Phys. B:, 1987, 20, 6257. [all data]
Potts and Price, 1977
Potts, A.W.; Price, W.C.,
Photoelectron studies of ionic materials using molecular beam techniques,
Phys. Scr., 1977, 16, 191. [all data]
Smith and Pong, 1975
Smith, J.A.; Pong, W.,
Ultraviolet photoelectron spectra of cesium halides,
Phys. Rev. B:, 1975, 12, 5931. [all data]
Potts, Williams, et al., 1974
Potts, A.W.; Williams, T.A.; Price, W.C.,
Photoelectron spectra and electronic structure of diatomic alkali halides,
Proc. Roy. Soc. London A, 1974, 341, 147. [all data]
Berkowitz, Dehmer, et al., 1973
Berkowitz, J.; Dehmer, J.L.; Walker, T.E.H.,
PES of high-temperature vapors. IV. The cesium halides. Effect of spin-orbit interaction on the photoelectron and mass spectra of the alkali halides,
J. Chem. Phys., 1973, 59, 3645. [all data]
Berkowitz, 1969
Berkowitz, J.,
Photoionization of high-temperature vapors. V. Cesium halides; chemical shift of autoionization,
J. Chem. Phys., 1969, 50, 3503. [all data]
Geiger and Pfeiffer, 1968
Geiger, J.; Pfeiffer, H.-C.,
Untersuchung der Anregung innerer Elektronen von Alkalihalogenidmolekulen im Energieverlustspektrum von 25 keV-Elektronen,
Z. Phys., 1968, 208, 105. [all data]
Muller, 1927
Muller, L.A.,
4. absorptionsspektren der alkalihalogenide in wasseriger losung und im dampf,
Ann. Phys. (Leipzig), 1927, 82, 39. [all data]
Barrow and Caunt, 1953
Barrow, R.F.; Caunt, A.D.,
The ultra-violet absorption spectra of some gaseous alkali-metal halides and the dissociation energy of fluorine,
Proc. R. Soc. London A, 1953, 219, 120. [all data]
Davidovits and Brodhead, 1967
Davidovits, P.; Brodhead, D.C.,
Ultraviolet absorption cross sections for the alkali halide vapors,
J. Chem. Phys., 1967, 46, 2968. [all data]
Sommermeyer, 1929
Sommermeyer, K.,
Ein neues spektrum der gasformigen alkalihalogenide und seine deutung,
Z. Phys., 1929, 56, 548. [all data]
Oldenborg, Gole, et al., 1974
Oldenborg, R.C.; Gole, J.L.; Zare, R.N.,
Chemiluminescent spectra of alkali-halogen reactions,
J. Chem. Phys., 1974, 60, 4032. [all data]
Honig, Stitch, et al., 1953
Honig, A.; Stitch, M.L.; Mandel, M.,
Microwave spectra of CsF, CsCl, and CsBr,
Phys. Rev., 1953, 92, 901. [all data]
Rusk and Gordy, 1962
Rusk, J.R.; Gordy, W.,
Millimeter wave molecular beam spectroscopy: alkali bromides and iodides,
Phys. Rev., 1962, 127, 817. [all data]
Miller, Finney, et al., 1973
Miller, C.E.; Finney, A.A.; Inman, F.W.,
Rotational and hyperfine structure constants for groups IA and IIIA monohalide and monohydride molecules,
At. Data, 1973, 5, 1. [all data]
Honerjager and Tischer, 1974
Honerjager, R.; Tischer, R.,
Mikrowellenrotationsspektren der Molekeln CsF, CsCl, CsBr und CsI,
Z. Naturforsch. A, 1974, 29, 819. [all data]
Rice and Klemperer, 1957
Rice, S.A.; Klemperer, W.,
Spectra of the alkali halides. II. The infrared spectra of the sodium and potassium halides, RbCl, and CsCl,
J. Chem. Phys., 1957, 27, 573. [all data]
Brewer and Brackett, 1961
Brewer, L.; Brackett, E.,
The dissociation energies of gaseous alkali halides,
Chem. Rev., 1961, 61, 425. [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]
Scheer and Fine, 1962
Scheer, M.D.; Fine, J.,
Entropies, heats of sublimation, and dissociation energies of the cesium halides,
J. Chem. Phys., 1962, 36, 1647. [all data]
Berry, Cernoch, et al., 1968
Berry, R.S.; Cernoch, T.; Coplan, M.; Ewing, J.J.,
Inverted population in dissociation of CsBr molecules,
J. Chem. Phys., 1968, 49, 127. [all data]
Story and Hebert, 1976
Story, T.L., Jr.; Hebert, A.J.,
Dipole moments of KI, RbBr, RbI, CsBr, and CsI by the electric deflection method,
J. Chem. Phys., 1976, 64, 855. [all data]
Hoeft, Tiemann, et al., 1972
Hoeft, J.; Tiemann, E.; Torring, T.,
Hyperfeinstruktur des CsBr,
Z. Naturforsch. A, 1972, 27, 702. [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]
Notes
Go To: Top, Gas phase ion energetics data, Constants of diatomic molecules, References
- Symbols used in this document:
AE Appearance energy EA Electron affinity - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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