Benzene, 1,1'-(1,3,5-hexatriene-1,6-diyl)bis-

• Formula: C₁₈H₁₆
• Molecular weight: 232.3196
• IUPAC Standard InChI: InChI=1S/C18H16/c1(5-11-17-13-7-3-8-14-17)2-6-12-18-15-9-4-10-16-18/h1-16H/b2-1+,11-5+,12-6+ Copy

  
• IUPAC Standard InChIKey: BOBLSBAZCVBABY-WPWUJOAOSA-N Copy
• CAS Registry Number: 1720-32-7
• 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.
• Species with the same structure:
  • all-trans-1,6-Diphenyl-1,3,5-hexatriene
• Other names: 1,3,5-Hexatriene, 1,6-diphenyl-; Diphenylhexatriene; 1,6-Diphenyl-1,3,5-hexatriene; 1,6-Diphenylhexatriene; a,w-Diphenylhexatriene; Dph; Dph (dye); Dicinnamyl; (6-Phenyl-1,3,5-hexatrienyl)benzene; 1,6-diphenylhexa-1,3,5-triene
• Information on this page:
  • Phase change data
  • Gas phase ion energetics data
  • References
  • Notes
• Other data available:
  • Mass spectrum (electron ionization)
  • UV/Visible spectrum
• Options:
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Phase change 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 by: Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny director

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

Electron affinity determinations

Ionization energy determinations

References

Go To: Top, Phase change data, 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.

Sangster and Irvine, 1956
Sangster, R.C.; Irvine, J.W., Study of Organic Scintillators, J. Chem. Phys., 1956, 24, 670. [all data]

Siegert, Vogeler, et al., 2011
Siegert, S.; Vogeler, F.; Marian, C.M.; Weinkauf, R., Throwing light on dark states of alpha-oligothiophenes of chain lengths 2 to 6: radical anion photoelectron spectroscopy and excited-state theory, Phys. Chem. Chem. Phys., 2011, 13, 21, 10350-10363, https://doi.org/10.1039/c0cp02712j . [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]

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]

Notes

Go To: Top, Phase change data, Gas phase ion energetics data, References

• Symbols used in this document:
  

  EA	Electron affinity
  Tfus	Fusion (melting) point

• Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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