Ethene, 1,2-dibromo-, (E)-
- Formula: C2H2Br2
- Molecular weight: 185.845
- IUPAC Standard InChIKey: UWTUEMKLYAGTNQ-OWOJBTEDSA-N
- CAS Registry Number: 590-12-5
- 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. - Stereoisomers:
- Other names: (E)-1,2-Dibromoethylene; trans-1,2-Dibromoethene
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Gas phase ion energetics data
Go To: Top, UV/Visible spectrum, Gas Chromatography, 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 |
---|---|---|---|
9.47 ± 0.01 | S | Wittel, Felps, et al., 1976 | LLK |
9.55 ± 0.01 | S | Schander and Russell, 1976 | LLK |
9.30 ± 0.02 | PE | Chadwick, Frost, et al., 1972 | LLK |
9.46 ± 0.02 | PI | Momigny, 1960 | RDSH |
9.47 | PI | Bralsford, Harris, et al., 1960 | RDSH |
9.55 | PE | Wittel and Bock, 1974 | Vertical value; LLK |
9.56 | PE | Bock and Wittel, 1972 | Vertical value; LLK |
Appearance energy determinations
Ion | AE (eV) | Other Products | Method | Reference | Comment |
---|---|---|---|---|---|
C2H2Br+ | 11.65 ± 0.05 | Br | EI | Momigny, 1961 | RDSH |
UV/Visible spectrum
Go To: Top, Gas phase ion energetics data, Gas Chromatography, References, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Spectrum
Additional Data
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Source | Perkampus and Braunschweig, 1966 |
---|---|
Owner | INEP CP RAS, NIST OSRD Collection (C) 2007 copyright by the U.S. Secretary of Commerce on behalf of the United States of America. All rights reserved. |
Origin | INSTITUTE OF ENERGY PROBLEMS OF CHEMICAL PHYSICS, RAS |
Source reference | RAS UV No. 19924 |
Instrument | Zeiss PMQ II |
Boiling point | 107-110 |
Gas Chromatography
Go To: Top, Gas phase ion energetics data, UV/Visible spectrum, 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: NIST Mass Spectrometry Data Center, William E. Wallace, director
Kovats' RI, non-polar column, isothermal
Column type | Active phase | Temperature (C) | I | Reference | Comment |
---|---|---|---|---|---|
Packed | OV-1 | 100. | 738. | Castello and Gerbino, 1988 | He, Chromosorb W DMCS; Column length: 3. m |
Packed | OV-1 | 125. | 744. | Castello and Gerbino, 1988 | He, Chromosorb W DMCS; Column length: 3. m |
Packed | OV-1 | 75. | 730. | Castello and Gerbino, 1988 | He, Chromosorb W DMCS; Column length: 3. m |
Kovats' RI, polar column, isothermal
Column type | Active phase | Temperature (C) | I | Reference | Comment |
---|---|---|---|---|---|
Packed | SP-1000 | 100. | 1150.25 | Castello and Gerbino, 1988 | He, Chromosorb W DMCS; Column length: 3. m |
Packed | SP-1000 | 125. | 1157.92 | Castello and Gerbino, 1988 | He, Chromosorb W DMCS; Column length: 3. m |
Packed | SP-1000 | 75. | 1139.04 | Castello and Gerbino, 1988 | He, Chromosorb W DMCS; Column length: 3. m |
Normal alkane RI, non-polar column, custom temperature program
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | OV-1, SE-30, Methyl silicone, SP-2100, OV-101, DB-1, etc. | 756. | Waggott and Davies, 1984 | Hydrogen; Column length: 50. m; Column diameter: 0.32 mm; Program: not specified |
References
Go To: Top, Gas phase ion energetics data, UV/Visible spectrum, Gas Chromatography, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Wittel, Felps, et al., 1976
Wittel, K.; Felps, W.S.; Klasinc, L.; McGlynn, S.P.,
Molecular Rydberg transitions. VI. trans-dibromoethylene. The relation between vacuum ultraviolet and photoelectron spectroscopy,
J. Chem. Phys., 1976, 65, 3698. [all data]
Schander and Russell, 1976
Schander, J.; Russell, B.R.,
Vacuum ultraviolet spectra of bromoethylene and dibromoethylenes,
J. Am. Chem. Soc., 1976, 98, 6900. [all data]
Chadwick, Frost, et al., 1972
Chadwick, D.; Frost, D.C.; Katrib, A.; McDowell, C.A.; McLean, R.A.N.,
Photoelectron spectra of some bromoethylenes and 2-bromopropene,
Can. J. Chem., 1972, 50, 2642. [all data]
Momigny, 1960
Momigny, J.,
Les potentials d'ionisation des dihalogenoethylenes cis et trans,
Bull. Classe Sci. Acad. Roy. Belg., 1960, 46, 686. [all data]
Bralsford, Harris, et al., 1960
Bralsford, R.; Harris, P.V.; Price, W.C.,
The effect of fluorine on the electronic spectra and ionization potentials of molecules,
Proc. Roy. Soc. (London), 1960, A258, 459. [all data]
Wittel and Bock, 1974
Wittel, K.; Bock, H.,
Photoelektronenspekten und molekuleigenschaften. XXVII. Chlor- und bromathylene- beispiele fur anderungen in π- und σ-Systemen,
Chem. Ber., 1974, 107, 317. [all data]
Bock and Wittel, 1972
Bock, H.; Wittel, K.,
Photoelectron spectra and molecular properties of trans-dihalogenoethylenes: substituent effects spin-orbit coupling,
J. Chem. Soc., Chem. Commun., 1972, 602. [all data]
Momigny, 1961
Momigny, J.,
Comportement des dihalogenoethylenes cis et trans sous l'impact electronique,
Bull. Soc. Chim. Belges, 1961, 70, 241. [all data]
Perkampus and Braunschweig, 1966
Perkampus, H.-H.; Braunschweig, T.H.,
UV atlas of organic compounds, 1966, 1, A1/19. [all data]
Castello and Gerbino, 1988
Castello, G.; Gerbino, T.C.,
Effect of Temperature on the Gas Chromatographic Separation of Halogenated Compounds on Polar and Non-Polar Stationary Phases,
J. Chromatogr., 1988, 437, 33-45, https://doi.org/10.1016/S0021-9673(00)90369-8
. [all data]
Waggott and Davies, 1984
Waggott, A.; Davies, I.W.,
Identification of organic pollutants using linear temperature programmed retention indices (LTPRIs) - Part II, 1984, retrieved from http://dwi.defra.gov.uk/research/completed-research/reports/dwi0383.pdf. [all data]
Notes
Go To: Top, Gas phase ion energetics data, UV/Visible spectrum, Gas Chromatography, References
- Symbols used in this document:
AE Appearance energy - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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