Document Details Document Type : Article In Conference  Document Title : Solvent Effect on the Tautomeric Equilibria of 2- and 4- .Solvent Effect on the Tautomeric Equilibria of 2- and 4   Subject : Physical Chemistry  Document Language : English  Abstract : The tautomeric equilibria of 2- and 4-hydroxypyridines and their sulphur analogues were investigated at the HF/6-31 G+d level of theory. The potential energy surface of the tautomerization process is explored, critical points are well identified, and a correlation effect on the energetic of the process is computed at the MP2 level. Similarities and differences in the geometric features of the transition states of the 2- and 4-hydroxy derivatives are pointed out. The effect of replacing oxygen by sulphur on the geometries and energies of the tautameric equilibria are discussed. Solvent effects on the studied tautomerization processes are carefully examined using the self-consistent reaction field model (SCRF). Results of the present work elaborate on the known chemistry of pyridines and phenols.  Conference Name : 1st conference on chemistry organized by Cairo university  Duration : From : 6 / 3 /2000 AD - To : 9/3/2000 AD  Publishing Year : 1420 AH 2000 AD  Number Of Pages : 1  Article Type : Article  Conference Place : Cairo  Organizing Body : Cairo University  Added Date : Saturday, October 3, 2009  Researchers Researcher Name (Arabic) Researcher Name (English) Researcher Type Dr Grade Email سعدالله قاري Saadullah Gary Researcher Doctorate saziz@kau.edu.sa Files File Name Type Description  20740.pdf pdf Abstract Back To Researches Page