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Grouping of hydrogen‐bond ability of pure solvents and their binary mixtures based on the similarity of their microscopic properties. Part 2
Author(s) -
Pérez Adriana del C.,
Mancini Pedro M.
Publication year - 2009
Publication title -
journal of physical organic chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.325
H-Index - 66
eISSN - 1099-1395
pISSN - 0894-3230
DOI - 10.1002/poc.1450
Subject(s) - solvatochromism , chemistry , similarity (geometry) , hydrogen bond , binary number , solvent , cluster (spacecraft) , cluster analysis , computational chemistry , organic chemistry , molecule , statistics , artificial intelligence , arithmetic , mathematics , computer science , image (mathematics) , programming language
The work presents a grouping scheme of some pure solvents (which are able to form hydrogen‐bonded complexes) and their binary mixtures on the basis of the similarity of their molecular‐microscopic properties. The solvatochromic parameters SPP, SA, and SB developed by Catalán et al . are selected as clustering variables. The Ward Method (WM) and the Group Average Method (GA) are applied as clustering procedures. The study pays particular attention to the microscopic solvent feature common to all solvents included in each cluster, describing the relevant solvating properties. It also contributes to a better understanding of the similarities and differences of the explored solvents. Copyright © 2008 John Wiley & Sons, Ltd.