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Reactivity descriptors and electron density analysis for ligand chemistry: A case study of 2,2′-bipyridine and its analogues.
- Source :
-
Journal of Chemical Sciences . Sep2007, Vol. 119 Issue 5, p489-499. 11p. 3 Diagrams, 6 Charts. - Publication Year :
- 2007
-
Abstract
- In this paper, we study the reactivity of diimines like 2,2'-bipyridine and its analogues using reactivity descriptors. We discuss evaluation of local descriptors using relaxed as well as frozen approximation and characterize the σ/π acceptance/donor characteristics of the above ligands. The intermolecular reactivity sequence for the same systems is examined by the global and local philicity index. In addition, electron density analysis has been carried out to highlight the possible strengths of interaction of the bipyridine and its analogues with metal ions. [ABSTRACT FROM AUTHOR]
Details
- Language :
- English
- ISSN :
- 09743626
- Volume :
- 119
- Issue :
- 5
- Database :
- Academic Search Index
- Journal :
- Journal of Chemical Sciences
- Publication Type :
- Academic Journal
- Accession number :
- 27552360
- Full Text :
- https://doi.org/10.1007/s12039-007-0062-0