Bromine monoxide
- Formula: BrO
- Molecular weight: 95.903
- IUPAC Standard InChI: InChI=1S/BrO/c1-2
- IUPAC Standard InChIKey: FMSOWMGJJIHFTQ-UHFFFAOYSA-N
- CAS Registry Number: 15656-19-6
- Chemical structure:
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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:
LL - Sharon G. Lias and Joel F. Liebman
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
B - John E. Bartmess
View reactions leading to BrO+ (ion structure unspecified)
Electron affinity determinations
| EA (eV) | Method | Reference | Comment |
|---|---|---|---|
| 2.3530 ± 0.0060 | LPES | Gilles, Polak, et al., 1992 | B |
| >1.53 ± 0.22 | R-A | Vogt, Dreves, et al., 1977 | Br- + O2 ->; B |
Ionization energy determinations
| IE (eV) | Method | Reference | Comment |
|---|---|---|---|
| 10.46 ± 0.02 | PI | Monks, Stief, et al., 1993 | LL |
| 10.29 ± 0.01 | PE | Dunlavey, Dyke, et al., 1978 | 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 June, 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 |
|---|---|---|---|---|---|---|---|---|---|---|---|---|
| A (2Π3/2) | 27871 | 485.9 1 H | 5.40 | -0.074 | 2 | A ↔ X1 R | 27725 1 H | |||||
| ↳Coleman and Gaydon, 1947; missing citation | ||||||||||||
| X2 2Π1/2 | (900) 3 | |||||||||||
| X1 2Π3/2 | 0 | 778.7 1 H | 6.82 | 0.429598 4 | 0.003639 | (0.523E-6) | 1.7172 5 6 | |||||
| ↳Powell and Johnson, 1969; Amano, Yoshinaga, et al., 1972; Carrington, Dyer, et al., 1970; Brown, Byfleet, et al., 1972 | ||||||||||||
| EPR sp. | ||||||||||||
| ↳Carrington, Dyer, et al., 1970; Brown, Byfleet, et al., 1972 | ||||||||||||
Notes
| 1 | Normal isotopic mixture. The vibrational numbering in neither A nor X1 is quite certain. In order to fit the absorption and the emission bands into the same vibrational scheme it was assumed Durie and Ramsay, 1958 that the longest-wavelength absorption band was 1-0 and that the v" numbering of the emission bands Coleman and Gaydon, 1947 had to be raised by four units. |
| 2 | All A ← X1 bands are diffuse on account of predissociation, though a few bands show evidence of rotational fine structure. |
| 3 | A0= -815 from EPR sp. Carrington, Dyer, et al., 1970; estimate A0 = -980 Brown, Byfleet, et al., 1972. |
| 4 | Effective constants. |
| 5 | From the "true" Be = 0.4299 Amano, Yoshinaga, et al., 1972. |
| 6 | Microwave sp. 8 |
| 7 | From the near-convergence of the absorption bands A ←X1 assuming dissociation of A into Cl(2P3/2) + O(1D2); see Durie and Ramsay, 1958. |
| 8 | μel(v=0)= 1.765 D Amano, Yoshinaga, et al., 1972; 1.61 D Carrington, Levy, et al., 1967, Byfleet, Carrington, et al., 1971 from Stark effect in the gas-phase EPR sp. Carrington, Levy, et al., 1967, Byfleet, Carrington, et al., 1971. For eqQ(79,81Br) and magnetic hyperfine parameters for both isotopes see Powell and Johnson, 1969, Carrington, Dyer, et al., 1970, Amano, Yoshinaga, et al., 1972, Brown, Byfleet, et al., 1972. |
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.
Gilles, Polak, et al., 1992
Gilles, M.K.; Polak, M.L.; Lineberger, W.C.,
Photoelectron Spectroscopy of the Halogen Oxide Anions FO-, ClO-, BrO-, IO-, OClO-, and OIO-,
J. Chem. Phys., 1992, 96, 11, 8012, https://doi.org/10.1063/1.462352
. [all data]
Vogt, Dreves, et al., 1977
Vogt, D.; Dreves, W.; Mischke, J.,
Energy dependence of differential cross sections in endoergic ion-molecule collision processes of negative ions,
Int. J. Mass Spectrom. Ion Phys., 1977, 24, 285. [all data]
Monks, Stief, et al., 1993
Monks, P.S.; Stief, L.J.; Krauss, M.; Kuo, S.C.; Klemm, R.B.,
A discharge-flow photoionization mass-spectrometric study of the BrO(X 2) radical. Photoionization spectrum and ionization energy,
Chem. Phys. Lett., 1993, 211, 416. [all data]
Dunlavey, Dyke, et al., 1978
Dunlavey, S.J.; Dyke, J.M.; Morris, A.,
The first ionization potential of the BrO(X2π3/2) radical obtained using photoelectron spectroscopy,
Chem. Phys. Lett., 1978, 53, 382. [all data]
Coleman and Gaydon, 1947
Coleman, E.H.; Gaydon, A.G.,
The radicals BrO and CBr in flames,
Discuss. Faraday Soc., 1947, 2, 166. [all data]
Powell and Johnson, 1969
Powell, F.X.; Johnson, D.R.,
Microwave spectrum of the BrO free radical,
J. Chem. Phys., 1969, 50, 4596. [all data]
Amano, Yoshinaga, et al., 1972
Amano, T.; Yoshinaga, A.; Hirota, E.,
Microwave spectrum of the BrO radical equilibrium structure and dipole moment,
J. Mol. Spectrosc., 1972, 44, 594. [all data]
Carrington, Dyer, et al., 1970
Carrington, A.; Dyer, P.N.; Levy, D.H.,
Gas-phase electron resonance spectra of BrO and IO,
J. Chem. Phys., 1970, 52, 309. [all data]
Brown, Byfleet, et al., 1972
Brown, J.M.; Byfleet, C.R.; Howard, B.J.; Russell, D.K.,
The electron resonance spectra of BrO, IO and SeF in J=5/2 rotational levels,
Mol. Phys., 1972, 23, 457. [all data]
Durie and Ramsay, 1958
Durie, R.A.; Ramsay, D.A.,
Absorption spectra of the halogen monoxides,
Can. J. Phys., 1958, 36, 35. [all data]
Carrington, Levy, et al., 1967
Carrington, A.; Levy, D.H.; Miller, T.A.,
Stark effect in gas-phase electron resonance. The dipole moments of ClO, BrO, SH, and 1ΔSO,
J. Chem. Phys., 1967, 47, 3801. [all data]
Byfleet, Carrington, et al., 1971
Byfleet, C.R.; Carrington, A.; Russell, D.K.,
Electric dipole moments of open-shell diatomic molecules,
Mol. Phys., 1971, 20, 271. [all data]
Notes
Go To: Top, Gas phase ion energetics data, Constants of diatomic molecules, References
- Symbols used in this document:
EA Electron affinity - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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