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Structure–basicity relationships for pyridine extractants
Author(s) -
Szymanowski Jan,
BorowiakResterna A.,
Voelkel A.
Publication year - 1995
Publication title -
journal of chemical technology and biotechnology
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.64
H-Index - 117
eISSN - 1097-4660
pISSN - 0268-2575
DOI - 10.1002/jctb.280620305
Subject(s) - pyridine , topological index , valence (chemistry) , nitrogen , chemistry , index (typography) , topology (electrical circuits) , mathematics , computational chemistry , organic chemistry , computer science , combinatorics , world wide web
Topological indices are determined for models of prospective pyridine extractants and the relationships structure–topological index and topological index–pyridine nitrogen basicity are described. The second order valence molecular connectivity index, the Balaban index and the Wiener number are appropriate structural descriptors of pyridine derivatives and, in several cases, permit the pyridine nitrogen basicity to be predicted. The relationships between p K a values and the structural descriptors are given and described.