he catalytic activities of [H_nRu_3(CO)_9(CCO)]￣(-(2-n)) (n=0, 1 , 2 , 3) support-ed on oxides have been estimated using INDO calculations and correlation betweencatalytic activity and electronic structure for these ...he catalytic activities of [H_nRu_3(CO)_9(CCO)]￣(-(2-n)) (n=0, 1 , 2 , 3) support-ed on oxides have been estimated using INDO calculations and correlation betweencatalytic activity and electronic structure for these clusters have been established.The activity in ￣(13)CO isotopic exchange strongly relates to the bond orders of Ru-CO and C-CO, and the activity in alkylation with nucleophile or electrophile de-pends mainly on the net charges at Ca atoms. In addition, the possible species of[H_3Ru_3(CO)_9(CCO)]￣+ has been proposed although it has not been synthesized upto now.展开更多
文摘he catalytic activities of [H_nRu_3(CO)_9(CCO)]￣(-(2-n)) (n=0, 1 , 2 , 3) support-ed on oxides have been estimated using INDO calculations and correlation betweencatalytic activity and electronic structure for these clusters have been established.The activity in ￣(13)CO isotopic exchange strongly relates to the bond orders of Ru-CO and C-CO, and the activity in alkylation with nucleophile or electrophile de-pends mainly on the net charges at Ca atoms. In addition, the possible species of[H_3Ru_3(CO)_9(CCO)]￣+ has been proposed although it has not been synthesized upto now.
