Special Issue "Correlation Analysis Applied to Solvolysis Reactions"
A special issue of International Journal of Molecular Sciences (ISSN 1422-0067). This special issue belongs to the section "Physical Chemistry, Theoretical and Computational Chemistry".
Deadline for manuscript submissions: closed (15 December 2011)
Prof. Dr. Dennis N. Kevill (Website)
Distinguished Research Professor Emeritus, Department of Chemistry and Biochemistry, Northern Illinois University, DeKalb, IL 60115, USA
Interests: reaction mechanism in organic chemistry; solvolysis reactions; solvent nucleophilicity; mechanism of nucleophilic attack at acyl carbon; phosphorus; sulfur
Solvolysis reactions involve the solvent also as a reactant. One technique in their study involves correlation analysis using linear free energy relationships. Grunwald and Winstein developed a scale of solvent ionizing power for unimolecular solvolyses and subsequently a second term, involving nucleophilicity, was added for bimolecular reactions. Originally applied to reactions at a saturated carbon, the approach can also be applied to solvolyses at acyl carbon and at heteroatoms, such as sulfur or phosphorus (Kevill, D.N.; D’Souza, M. J. Sixty years of the Grunwald-Winstein equation: development and recent applications. J. Chem. Res., 2008, 61-66.).
If the interest is more on the nature of the interactions of the substrate with the solvent, rather than reaction mechanism, since there are a number of possibly relevant solvent properties, multiparameter equations will be required. Several books dealing with this area exist. (For example, Shorter, J, Correlation Analysis of Organic Reactivity with Particular Reference to Multiple Regression; Research Studies: New York, 1982).
Contributions in any area of the application of existing correlation equations to new reactions, modification of existing equations, or development of new approaches are welcome.
Prof. Dr. Dennis N. Kevill
- correlation analysis
- linear free energy relationships
- Grunwald-Winstein equation
- multiparameter equations