Surface modification by substitution. Changing topology of conformational potential energy surfaces

J. G. Ángyán, R. Daudel, Á Kucsman, I. Csizmadia

Research output: Contribution to journalArticle

13 Citations (Scopus)

Abstract

It is shown for compounds XS-CHCH-CHO that chemical substitution (X = H → F and X = H → Li) results in the change of conformational potential energy surfaces not only in the quantitative but in the qualitative sense as well. Qualitative change always implied a modified surface topology, i.e. critical points are either created by "split-ups" or annihilated by "collapse". It appears that some kind of "selection rule" might be operative in the "creation" and "annihilation" of critical points during the change of surface topology as the result of chemical substitution.

Original languageEnglish
Pages (from-to)1-8
Number of pages8
JournalChemical Physics Letters
Volume136
Issue number1
DOIs
Publication statusPublished - Apr 24 1987

Fingerprint

Potential energy surfaces
Surface treatment
Substitution reactions
topology
potential energy
Topology
substitutes
critical point

ASJC Scopus subject areas

  • Physical and Theoretical Chemistry
  • Spectroscopy
  • Condensed Matter Physics
  • Atomic and Molecular Physics, and Optics
  • Surfaces and Interfaces

Cite this

Surface modification by substitution. Changing topology of conformational potential energy surfaces. / Ángyán, J. G.; Daudel, R.; Kucsman, Á; Csizmadia, I.

In: Chemical Physics Letters, Vol. 136, No. 1, 24.04.1987, p. 1-8.

Research output: Contribution to journalArticle

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