1,4-Diphenyl-1,3-butadiene
- Formula: C16H14
- Molecular weight: 206.2824
- 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 |
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.
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]
Notes
Go To: Top, Gas phase ion energetics data, References
- Symbols used in this document:
EA Electron affinity - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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