Surface intermediates in the transformation of allyl alcohol over zeolites

I. Kiricsi, G. Tasi, A. Molnar, H. Förster

Research output: Contribution to journalArticle

3 Citations (Scopus)

Abstract

Interaction of allyl alcohol, acrolein and allene with zeolite HZSM-5 results in the formation of alkenyl carbenium ion oligomers as intermediates. According to the molecular electrostatic potential map and to the partial atomic charges from MNDO calculations as the preliminary step, the oxygen atom of allyl alcohol is attacked by the proton, followed by dehydration to allene, undergoing further transformation.

Original languageEnglish
Pages (from-to)185-192
Number of pages8
JournalJournal of Molecular Structure
Volume239
Issue numberC
DOIs
Publication statusPublished - Oct 15 1990

Fingerprint

Zeolites
zeolites
alcohols
Alcohols
Acrolein
Static Electricity
Dehydration
oligomers
Oligomers
dehydration
Protons
Electrostatics
oxygen atoms
Ions
electrostatics
Oxygen
Atoms
protons
ions
interactions

ASJC Scopus subject areas

  • Structural Biology
  • Organic Chemistry
  • Physical and Theoretical Chemistry
  • Spectroscopy
  • Materials Science (miscellaneous)
  • Atomic and Molecular Physics, and Optics

Cite this

Surface intermediates in the transformation of allyl alcohol over zeolites. / Kiricsi, I.; Tasi, G.; Molnar, A.; Förster, H.

In: Journal of Molecular Structure, Vol. 239, No. C, 15.10.1990, p. 185-192.

Research output: Contribution to journalArticle

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