bromine trifluoride
- Formula: BrF3
- Molecular weight: 136.899
- CAS Registry Number: 7787-71-5
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Gas phase ion energetics data
Go To: Top, Vibrational and/or electronic energy levels, 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
View reactions leading to BrF3+ (ion structure unspecified)
Ionization energy determinations
IE (eV) | Method | Reference | Comment |
---|---|---|---|
12.15 ± 0.04 | PE | DeKock, Higginson, et al., 1972 | LLK |
12.9 ± 0.3 | EI | Irsa and Friedman, 1958 | RDSH |
Appearance energy determinations
Ion | AE (eV) | Other Products | Method | Reference | Comment |
---|---|---|---|---|---|
BrF2+ | 13.5 ± 0.3 | F | EI | Irsa and Friedman, 1958 | RDSH |
Vibrational and/or electronic energy levels
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: Takehiko Shimanouchi
Symmetry: C2ν Symmetry Number σ = 2
Sym. | No | Approximate | Selected Freq. | Infrared | Raman | Comments | ||||
---|---|---|---|---|---|---|---|---|---|---|
Species | type of mode | Value | Rating | Value | Phase | Value | Phase | |||
a1 | 1 | BrF str | 675 | C | 675 S | gas | 675 S p | gas | ||
a1 | 2 | BrF2 s-str | 552 | C | 552 W | gas | 552 VS p | gas | ||
a1 | 3 | BrF2 ip-deform | 242 | C | 242 S | gas | 233 W p | gas | OV(ν6) | |
b1 | 4 | BrF2 a-str | 614 | C | 614 VS | gas | 612 VW | gas | ||
b1 | 5 | BrF2 ip-deform | 350 | C | 350 VW | gas | ||||
b2 | 6 | BrF2 op-deform | 242 | D | 242 S | gas | OV(ν3) | |||
Source: Shimanouchi, 1972
Notes
VS | Very strong |
S | Strong |
W | Weak |
VW | Very weak |
p | Polarized |
OV | Overlapped by band indicated in parentheses. |
C | 3~6 cm-1 uncertainty |
D | 6~15 cm-1 uncertainty |
References
Go To: Top, Gas phase ion energetics data, Vibrational and/or electronic energy levels, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
DeKock, Higginson, et al., 1972
DeKock, R.L.; Higginson, B.R.; Lloyd, D.R.; Breeze, A.; Cruickshank, D.W.J.; Armstrong, D.R.,
Photoelectron spectra of halides. V. Experimental theoretical study of the electronic structures of ClF, ClF3, BrF and BrF3,
Mol. Phys., 1972, 24, 1059. [all data]
Irsa and Friedman, 1958
Irsa, A.P.; Friedman, L.,
Mass spectra of halogen fluorides,
J. Inorg. Nucl. Chem., 1958, 6, 77. [all data]
Shimanouchi, 1972
Shimanouchi, T.,
Tables of Molecular Vibrational Frequencies Consolidated Volume II,
J. Phys. Chem. Ref. Data, 1972, 6, 3, 993-1102. [all data]
Notes
Go To: Top, Gas phase ion energetics data, Vibrational and/or electronic energy levels, References
- Symbols used in this document:
AE Appearance energy - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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