- Turkish Journal of Chemistry
- Vol: 26 Issue: 3
- Application of Quantitative Structure-Retention Relationships (QSRR) to a Set of Organic Bromo and N...
Application of Quantitative Structure-Retention Relationships (QSRR) to a Set of Organic Bromo and Nitrile Derivatives
Authors : Gustavo P. Romanelli, Juan Carlos Autino
Pages : 335-344
View : 7 | Download : 4
Publication Date : 9999-12-31
Article Type : Makaleler
Abstract :The retention times are studied for two sets of 1-bromo-2-aryiloxyetanes and 3- aryloxypropiononitriles derivatives by means of Quantitative Structure-Retention Relationships (QSRR}). Five quantum mechanical molecular descriptors are used to calculate the regression equations. The fitting polynomials are computed in several-variable at first, second, and third order equations. Results are only significant when resorting to several-variable formulae which seems to point out the rather complex physical chemistry nature of the property under study.Keywords : QSRR - Quantum mechanical molecular descriptors - Retention Index - Bromo and Nitrile Derivatives