ANALYSIS OF ORGANIC-REACTIONS ON THE FRAMEWORK OF A 3-DIMENSIONAL REACTION DIAGRAM .1. CUBIC DIAGRAM AND ITS APPLICATION TO NUCLEOPHILIC-SUBSTITUTION REACTIONS

TRUSHKOV, I.V.; ZHDANKIN, V.; KOZMIN, A.S.; ZEFIROV, N.S.

Информация о цитировании статьи получена из Web of Science
Статья опубликована в журнале из списка Web of Science и/или Scopus
Дата последнего поиска статьи во внешних источниках: 29 мая 2015 г.

Авторы: TRUSHKOV I.V., ZHDANKIN VV, KOZMIN A.S., ZEFIROV N.S.
Журнал: New Journal of Chemistry
Том: 17
Номер: 3
Год издания: 1993
Издательство: Royal Society of Chemistry
Местоположение издательства: United Kingdom
Первая страница: 161
Последняя страница: 171
Аннотация: A three dimensional reaction diagram is proposed for the analysis of nucloeophilic substitution reactions. In contrast to the More O'Ferrall approach this diagram includes not only the movement of the transition state along the reaction coordinate, but also along the two perpendicular coordinates. One coordinate considers the variations on the distance between nucleophile, leaving group, and electrophilic center. The other perpendicular coordinate reflects the extent of single electron shift from one of these fragments to another. A theoretical treatment of the energy variation in the cubic diagram is developed. The main parameters which have an influence on reactivity in nucleophilic substitutions are analyzed. Comparison of the application of a cubic diagram for the analysis of reactivity with some known approaches is given.
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ANALYSIS OF ORGANIC-REACTIONS ON THE FRAMEWORK OF A 3-DIMENSIONAL REACTION DIAGRAM .1. CUBIC DIAGRAM AND ITS APPLICATION TO NUCLEOPHILIC-SUBSTITUTION REACTIONSстатья

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