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Solvent effects on CO stretching frequencies of some 1‐substituted 2‐pyrrolidinones
Author(s) -
Engberts J. B. F. N.,
Famini G. R.,
Perjéssy A.,
Wilson L. Y.
Publication year - 1998
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/(sici)1099-1395(199804)11:4<261::aid-poc997>3.0.co;2-0
Subject(s) - chemistry , polarizability , solvent effects , solvent , pyrrolidinones , computational chemistry , thermodynamics , organic chemistry , molecule , physics
In an effort to model solute–solvent interactions, the CO stretching frequencies of five 1‐substituted 2‐pyrrolidinones and four other carbonyl‐containing compounds were measured for 30 common solvents. These were then correlated with four empirical parameter sets and one theoretical (computational) parameter set. While an empirical parameter set gave the best correlation equations, the theoretical parameter equations are physically and statistically significant. Solvent volume, polarizability and hydrogen bond donor acidity (capacity) terms are significant in the correlation equations. © 1998 John Wiley & Sons, Ltd.