1,4-Diphenyl-1,3-butadiene
- Formula: C16H14
- Molecular weight: 206.2824
- IUPAC Standard InChI: InChI=1S/C16H14/c1-3-9-15(10-4-1)13-7-8-14-16-11-5-2-6-12-16/h1-14H
- IUPAC Standard InChIKey: JFLKFZNIIQFQBS-UHFFFAOYSA-N
- CAS Registry Number: 886-65-7
- 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: Benzene, 1,1'-(1,3-butadiene-1,4-diyl)bis-; 1,3-Butadiene, 1,4-diphenyl-; Bistyryl; Distyryl; 1,4-Diphenylbutadiene; 1,4-Diphenylerythrene; (4-Phenyl-1,3-butadienyl)benzene; NSC 122702; 1,4-diphenylbuta-1,3-diene
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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
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron
B - John E. Bartmess
View reactions leading to C16H14+ (ion structure unspecified)
Electron affinity determinations
| EA (eV) | Method | Reference | Comment |
|---|---|---|---|
| 0.670 ± 0.020 | LPES | Vogeler, Siegert, et al., 2011 | B |
Ionization energy determinations
| IE (eV) | Method | Reference | Comment |
|---|---|---|---|
| 8.05 | PE | Rucker, Lang, et al., 1980 | LLK |
| 7.56 | PE | Hudson, Ridyard, et al., 1976 | LLK |
| 7.75 | CTS | Briegleb and Czekalla, 1959 | RDSH |
| 7.54 ± 0.03 | PE | Klessinger and Gunkel, 1978 | Vertical value; LLK |
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, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | DB-1 | 1738. | Hathcock and Bertsch, 1993 | 100. m/0.25 mm/0.5 μm; Program: not specified |
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.
Vogeler, Siegert, et al., 2011
Vogeler, F.; Siegert, S.; Marian, C.M.; Weinkauf, R.,
T-1, T-2 State Energies and Electron Affinities of Small alpha,omega-Diphenylpolyenes Investigated by Anion Photodetachment Photoelectron Spectroscopy and Excited-State Theory,
Chemphyschem, 2011, 12, 10, 1948-1956, https://doi.org/10.1002/cphc.201001083
. [all data]
Rucker, Lang, et al., 1980
Rucker, C.; Lang, D.; Sauer, J.; Friege, H.; Sustmann, R.,
Reaktivitat substituierter 1,3-Butadiene in Diels-Alder-Reaktionen,
Chem. Ber., 1980, 113, 1663. [all data]
Hudson, Ridyard, et al., 1976
Hudson, B.S.; Ridyard, J.N.A.; Diamond, J.,
Polyene spectroscopy. Photoelectron spectra of the diphenylpolyenes,
J. Am. Chem. Soc., 1976, 98, 1126. [all data]
Briegleb and Czekalla, 1959
Briegleb, G.; Czekalla, J.,
Die Bestimmung von lonisierungsenergien aus den Spektren von Elektronenubergangskomplexen,
Z.Elektrochem., 1959, 63, 6. [all data]
Klessinger and Gunkel, 1978
Klessinger, M.; Gunkel, E.,
The electronic structure of polyenes and unsaturated carbonyl compounds,
Tetrahedron, 1978, 34, 3591. [all data]
Hathcock and Bertsch, 1993
Hathcock, S.; Bertsch, W.,
Analysis of volatiles associated with industrial scale processing of expanded polystyrene. Part II: Identification and quantitation,
J. Hi. Res. Chromatogr., 1993, 16, 11, 651-659, https://doi.org/10.1002/jhrc.1240161106
. [all data]
Notes
Go To: Top, Gas phase ion energetics data, Gas Chromatography, References
- Symbols used in this document:
EA Electron affinity - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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