Application of chemometrics to heterogeneous catalysis: optimization of 1,4-cyclooctadiene yield and selectivity in the isomerization of 1,5-cyclooctadiene catalyzed by silica-supported Ir4(CO)12

The isomerization of 1,5-cyclooctadiene to 1,3-cyclooctadiene and 1,4-cyclooctadiene catalyzed by silica-supported Ir 4 (CO) 12 was investigated by means of statistical methods, and the yield in 1,4-cyclooctadiene was optimized. A complete factorial design was developed in order to evaluate the effects of five experimental variables and their interactions. Response surface methodology was employed to study the experimental domain (level of variables) and to determine the values of the independent variables for which the responses assume optimum values. By this method optimum yield in 1,4-isomer (50%) was obtained with the highest selectivity (>97%) so far obtained in this reaction.