Thiophene, 2-bromo-
- Formula: C4H3BrS
- Molecular weight: 163.036
- IUPAC Standard InChI: InChI=1S/C4H3BrS/c5-4-2-1-3-6-4/h1-3H
- IUPAC Standard InChIKey: TUCRZHGAIRVWTI-UHFFFAOYSA-N
- CAS Registry Number: 1003-09-4
- 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: 2-Bromothiophene; 2-Thienyl bromide; Thienyl bromide
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Gas phase ion energetics data
Go To: Top, 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 |
|---|---|---|---|
| 8.80 | CTS | Aloisi and Pignataro, 1973 | LLK |
| 8.664 ± 0.005 | PE | Rabalais, Werme, et al., 1972 | LLK |
| 8.664 | PE | Bergmark, Rabalais, et al., 1972 | LLK |
| 8.93 ± 0.05 | EI | Linda, Marino, et al., 1971 | LLK |
| 8.50 | PE | Baker, Betteridge, et al., 1970 | RDSH |
| 8.63 ± 0.01 | PI | Watanabe, Nakayama, et al., 1962 | RDSH |
| 8.60 | PE | Bozic, Humski, et al., 1977 | Vertical value; LLK |
| 8.82 ± 0.05 | PE | Fringuelli, Marino, et al., 1976 | Vertical value; LLK |
References
Go To: Top, Gas phase ion energetics data, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Aloisi and Pignataro, 1973
Aloisi, G.G.; Pignataro, S.,
Molecular complexes of substituted thiophens with σ and π acceptors,
J. Chem. Soc. Faraday Trans. 1, 1973, 69, 534. [all data]
Rabalais, Werme, et al., 1972
Rabalais, J.W.; Werme, L.O.; Bergmark, T.; Karlsson, L.; Siegbahn, K.,
The high resolution electron spectra of thiophene, 2-bromothiophene and 3-bromothiophene,
Int. J. Mass Spectrom. Ion Phys., 1972, 9, 185. [all data]
Bergmark, Rabalais, et al., 1972
Bergmark, T.; Rabalais, J.W.; Werme, L.O.; Karlsson, L.; Siegbahn, K.,
High-resolution electron spectra of methane, thiophene, 2-bromothiphene, and 3-bromothiophene
in Electron Spectroscopy, ed. D.A. Shirley (North-Holland Pub. Co., Amsterdam), 1972. [all data]
Linda, Marino, et al., 1971
Linda, P.; Marino, G.; Pignataro, S.,
A comparison of sensitivities to substituent effects of five- membered heteroaromatic rings in gas phase ionization,
J. Chem. Soc. B, 1971, 1585. [all data]
Baker, Betteridge, et al., 1970
Baker, A.D.; Betteridge, D.; Kemp, N.R.; Kirby, R.E.,
Application of photoelectron spectrometry to pesticide analysis. Photoelectron spectra of fivemembered heterocycles and related molecules,
Anal. Chem., 1970, 42, 1064. [all data]
Watanabe, Nakayama, et al., 1962
Watanabe, K.; Nakayama, T.; Mottl, J.,
Ionization potentials of some molecules,
J. Quant. Spectry. Radiative Transfer, 1962, 2, 369. [all data]
Bozic, Humski, et al., 1977
Bozic, Z.; Humski, K.; Cvitas, T.; Klasinc, L.,
Photoelectron spectra of bromo- and iodo- thiophens,
J. Chem. Soc. Perkin Trans. 2, 1977, 1413. [all data]
Fringuelli, Marino, et al., 1976
Fringuelli, F.; Marino, G.; Taticchi, A.; Distefano, G.; Colonna, F.P.; Pignataro, S.,
Photoelectron spectra of the α-substituted derivatives of furan, thiophen, selenophen, and tellurophen. A comparative study of the molecular orbital energies,
J. Chem. Soc. Perkin Trans. 2, 1976, 276. [all data]
Notes
Go To: Top, Gas phase ion energetics data, References
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