Dibenzothiophene
- Formula: C12H8S
- Molecular weight: 184.257
- IUPAC Standard InChIKey: IYYZUPMFVPLQIF-UHFFFAOYSA-N
- CAS Registry Number: 132-65-0
- 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: [1,1'-Biphenyl]-2,2'-diyl sulfide; Dibenzo[b,d]thiophene; Diphenylene sulfide; 2,2'-Biphenylylene sulfide; 9-Thiafluorene; α-Thiafluorene
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Gas phase ion energetics data
Go To: Top, Mass spectrum (electron ionization), 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 C12H8S+ (ion structure unspecified)
Ionization energy determinations
IE (eV) | Method | Reference | Comment |
---|---|---|---|
8.44 | EI | Terlouw, Heerma, et al., 1974 | LLK |
8.34 | EI | Aloisi and Pignataro, 1973 | LLK |
8.23 | CTS | Aloisi and Pignataro, 1973 | LLK |
7.90 ± 0.03 | PI | Potapov, Kardash, et al., 1972 | LLK |
8.14 | CTS | Mukherjee, 1969 | RDSH |
7.93 | PE | Ruscic, Kovac, et al., 1978 | Vertical value; LLK |
8.01 | PE | Johnstone and Mellon, 1973 | Vertical value; LLK |
Mass spectrum (electron ionization)
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: NIST Mass Spectrometry Data Center, William E. Wallace, director
Spectrum
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Additional Data
View image of digitized spectrum (can be printed in landscape orientation).
Due to licensing restrictions, this spectrum cannot be downloaded.
Owner | NIST Mass Spectrometry Data Center Collection (C) 2014 copyright by the U.S. Secretary of Commerce on behalf of the United States of America. All rights reserved. |
---|---|
Origin | Tox21 Consortium/NIST Mass Spectrometry Data Center, 2012 |
NIST MS number | 408598 |
References
Go To: Top, Gas phase ion energetics data, Mass spectrum (electron ionization), Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Terlouw, Heerma, et al., 1974
Terlouw, J.K.; Heerma, W.; Frintrop, P.C.M.; Dijkstra, G.; Meinema, H.A.,
Electron-impact induced fragmentation of some heterocyclic-tin compounds,
J. Organomet. Chem., 1974, 64, 205. [all data]
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]
Potapov, Kardash, et al., 1972
Potapov, V.K.; Kardash, I.E.; Sorokin, V.V.; Sokolov, S.A.; Evlasheva, T.I.,
Photoionization of heteroaromatic compounds,
Khim. Vys. Energ., 1972, 6, 392. [all data]
Mukherjee, 1969
Mukherjee, T.K.,
Charge-transfer donor abilities of o,o'bridged biphenyls,
J. Phys. Chem., 1969, 73, 3442. [all data]
Ruscic, Kovac, et al., 1978
Ruscic, B.; Kovac, B.; Klasinc, L.; Gusten, H.,
Photoelectron spectroscopy of J. Heterocycl. Chem.. Fluorene analogues,
Z. Naturforsch. A:, 1978, 33, 1006. [all data]
Johnstone and Mellon, 1973
Johnstone, R.A.W.; Mellon, F.A.,
Photoelectron spectroscopy of sulphur-containing heteroaromatics and molecular orbital calculations,
J. Chem. Soc. Faraday Trans. 2, 1973, 69, 1155. [all data]
Notes
Go To: Top, Gas phase ion energetics data, Mass spectrum (electron ionization), References
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