Vitamin E models: The effect of heteroatom substitution in 2-ethyl-2-methyl chroman and 2-ethyl-2-methyl-6-hydroxychroman

D. H. Setiadi, G. A. Chass, L. L. Torday, A. Varró, J. Papp, I. Csizmadia

Research output: Contribution to journalArticle

3 Citations (Scopus)

Abstract

The molecular conformations of shortened molecular models of vitamin E (tocopherol and tocotrienol) and their sulfur and selenimn congeners were studied computationally at the DFT level of theory [B3LYP/6-31G(d)]. The sequence of stabilization by the various heteroatoms was found to be the following: O ∼ Se > S. On the basis of the present structural results it seems that the seleno-congener of vitamin E is a distinct possibility.

Original languageEnglish
Pages (from-to)609-618
Number of pages10
JournalEuropean Physical Journal D
Volume20
Issue number3
DOIs
Publication statusPublished - Sep 2002

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tocopherol
congeners
substitutes
sulfur
stabilization

ASJC Scopus subject areas

  • Physics and Astronomy(all)
  • Atomic and Molecular Physics, and Optics

Cite this

Vitamin E models : The effect of heteroatom substitution in 2-ethyl-2-methyl chroman and 2-ethyl-2-methyl-6-hydroxychroman. / Setiadi, D. H.; Chass, G. A.; Torday, L. L.; Varró, A.; Papp, J.; Csizmadia, I.

In: European Physical Journal D, Vol. 20, No. 3, 09.2002, p. 609-618.

Research output: Contribution to journalArticle

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