Benzene, [(1,1-dimethylethyl)thio]-
- Formula: C10H14S
- Molecular weight: 166.283
- IUPAC Standard InChI: InChI=1S/C10H14S/c1-10(2,3)11-9-7-5-4-6-8-9/h4-8H,1-3H3
- IUPAC Standard InChIKey: VEUCZKAZCRSEMP-UHFFFAOYSA-N
- CAS Registry Number: 3019-19-0
- 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: Sulfide, tert-butyl phenyl; tert-Butyl Phenyl sulfide; Phenyl tert-butyl sulfide
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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:
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
Ionization energy determinations
| IE (eV) | Method | Reference | Comment |
|---|---|---|---|
| 8.2 ± 0.1 | EI | Distefano, Ricci, et al., 1974 | LLK |
| 8.38 ± 0.05 | PE | Distefano, Pignataro, et al., 1974 | LLK |
| 8.40 | PE | Dewar, Ernstbrunner, et al., 1974 | Vertical value; LLK |
Appearance energy determinations
| Ion | AE (eV) | Other Products | Method | Reference | Comment |
|---|---|---|---|---|---|
| C4H9+ | 10.5 ± 0.1 | ? | EI | Distefano, Ricci, et al., 1974 | LLK |
| C9H11S+ | 12.1 ± 0.1 | CH3 | EI | Distefano, Ricci, et al., 1974 | 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.
Distefano, Ricci, et al., 1974
Distefano, G.; Ricci, A.; Danieli, R.; Foffani, A.; Innorta, G.; Torroni, S.,
Mass spectrometric evidence for p π-d π bonding between sulfur and the Group IVB elements,
J. Organomet. Chem., 1974, 65, 205. [all data]
Distefano, Pignataro, et al., 1974
Distefano, G.; Pignataro, S.; Ricci, A.; Colonna, F.P.; Pietropaolo, D.,
Interactions of π-orbitals with the group IV elements studied by ionization energy measurements,
Ann. Chim., 1974, 64, 153. [all data]
Dewar, Ernstbrunner, et al., 1974
Dewar, P.S.; Ernstbrunner, E.; Gilmore, J.R.; Godfrey, M.; Mellor, J.M.,
Conformational analysis of alkyl aryl ethers and alkyl aryl sulphides by photoelectron spectroscopy,
Tetrahedron, 1974, 30, 2455. [all data]
Notes
Go To: Top, Gas phase ion energetics data, References
- Symbols used in this document:
AE Appearance energy - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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