Carbonization of Anthracene and Phenanthrene. 2. Spectroscopy and Mechanisms

Teruhiko Sasaki, Robert G. Jenkins, Semih Eser, Harold H. Schobert

Research output: Contribution to journalArticlepeer-review

17 Scopus citations


The C, H analysis and FTIR and 1H NMR data on the carbonization products from anthracene and phenanthrene showed remarkable differences in reaction chemistry and mechanisms for these isomers. As different from phenanthrene, anthracene involves extensive hydrogenation reactions which lead to the formation of hydroaromatic compounds in the liquid phase during carbonization. Dreiding models of reaction products based on the C, H contents and spectroscopic data along with the minimization of the force field equation showed that anthracene produced planar oligomers more readily than phenanthrene. A mechanism is proposed for the two dimensional growth of discotic mesogens using Hückel molecular orbital calculations combined with structural modeling. Distinctly different chemistry and kinetics of carbonization in connection with geometrical arrangements of oligomers explain the different degrees of mesophase development obtained from anthracene and phenanthrene.

Original languageEnglish (US)
Pages (from-to)1047-1053
Number of pages7
JournalEnergy and Fuels
Issue number6
StatePublished - 1993

All Science Journal Classification (ASJC) codes

  • Chemical Engineering(all)
  • Fuel Technology
  • Energy Engineering and Power Technology


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