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ВНУТРИМОЛЕКУЛЯРНЫЕ МЕХАНИЗМЫ КЕТО-ЕНОЛЬНОЙ ТАУТОМЕРИИ В ЦИКЛИЧЕСКИХ β,β′-ТРИКЕТОНАХ

ВНУТРИМОЛЕКУЛЯРНЫЕ МЕХАНИЗМЫ КЕТО-ЕНОЛЬНОЙ ТАУТОМЕРИИ В ЦИКЛИЧЕСКИХ β,β′-ТРИКЕТОНАХ

Abstract

The topography of the potential energy surfaces of saturated and unsaturated cyclic β,β′-triketones was investigated by the B3LYP and MP2 methods using various atomic orbital basis sets. A global scheme of intramolecular mechanisms for tautomeric rearrangements for this type of compounds was proposed.

Методами B3LYP и MP2 с применением различных базисов атомных орбиталей исследована топография поверхностей потенциальной энергии насыщенных и ненасыщенных циклических β,β′-трикетонов. Построена единая схема внутримолекулярных механизмов таутомерных переходов для соединений данного типа.

Keywords

ВОДОРОДНАЯ СВЯЗЬ, ТАУТОМЕРИЯ, β, β′-ТРИКЕТОНЫ, ПОВЕРХНОСТЬ ПОТЕНЦИАЛЬНОЙ ЭНЕРГИИ, β′-TRIKETONES

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selected citations
These citations are derived from selected sources.
This is an alternative to the "Influence" indicator, which also reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).
BIP!Citations provided by BIP!
popularity
This indicator reflects the "current" impact/attention (the "hype") of an article in the research community at large, based on the underlying citation network.
BIP!Popularity provided by BIP!
influence
This indicator reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).
BIP!Influence provided by BIP!
impulse
This indicator reflects the initial momentum of an article directly after its publication, based on the underlying citation network.
BIP!Impulse provided by BIP!
0
Average
Average
Average
gold