Benzene, 1,1'-(1,2-cyclobutanediyl)bis-, trans-
- Formula: C16H16
- Molecular weight: 208.2982
- IUPAC Standard InChI: InChI=1S/C16H16/c1-3-7-13(8-4-1)15-11-12-16(15)14-9-5-2-6-10-14/h1-10,15-16H,11-12H2/t15-,16-/m1/s1
- IUPAC Standard InChIKey: AERGGMDNGDDGPI-HZPDHXFCSA-N
- CAS Registry Number: 20071-09-4
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
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- Other names: trans-1,2-Diphenylcyclobutane; (2-Phenylcyclobutyl)benzene,(E)-; Cyclobutane, 1,2-diphenyl, trans
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Gas phase ion energetics data
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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
View reactions leading to C16H16+ (ion structure unspecified)
Ionization energy determinations
| IE (eV) | Method | Reference | Comment |
|---|---|---|---|
| 8.2 ± 0.1 | EI | Groenwold, Chess, et al., 1984 | LBLHLM |
Appearance energy determinations
| Ion | AE (eV) | Other Products | Method | Reference | Comment |
|---|---|---|---|---|---|
| C8H8+ | 9.0 ± 0.1 | C8H8 | EI | Groenwold, Chess, et al., 1984 | LBLHLM |
Gas Chromatography
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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
Normal alkane RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Packed | SE-30 | 1720. | Khudobina and Zenkevich, 1984 | Helium, Chromosorb W (80-100 mesh), 50. C @ 0. min, 5. K/min, 250. C @ 0. min; Column length: 1.8 m |
References
Go To: Top, Gas phase ion energetics data, Gas Chromatography, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Groenwold, Chess, et al., 1984
Groenwold, G.S.; Chess, E.K.; Gross, M.L.,
Structure of the intermediate formed in the reaction of the styrene radical cation and neutral styrene,
J. Am. Chem. Soc., 1984, 106, 539. [all data]
Khudobina and Zenkevich, 1984
Khudobina, G.V.; Zenkevich, I.G.,
Chromato Mass Spectrometric Identification of Dimers in Recycled Styrene, VINITI, # 8039-84, 1984, 14. [all data]
Notes
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- Symbols used in this document:
AE Appearance energy - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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