In homogeneous catalysis, the catalyst is in the same phase as the reactant. The number of collisions between reactants and catalyst is at a maximum.In a patent, 13031-04-4, name is 4,4-Dimethyldihydrofuran-2,3-dione, introducing its new discovery. Recommanded Product: 13031-04-4
A density functional study of the hydrogenation of ketones catalysed by neutral rhodium-diphosphane complexes
The potential energy profile of RhI-catalysed hydrogenation of ketones has been computed for the simple model system [Rh{H3POCH 2CH2N(H)PH3}(Cl)] using DFT calculations. The general sequence of the catalytic cycle involves coordination of the carbonyl derivative to the neutral RhI complex followed by oxidative addition of molecular hydrogen providing rhodium dihydride intermediates. The latter are converted into alkoxy hydrides by a migratory insertion reaction. Reductive elimination of the alcohol and substitution of the latter by the incoming substrate completes the catalytic cycle. Intermediates and transition states of all catalytic steps have been located. Two isomeric derivatives bearing the model substrate have been found for the [Rh{H3POCH2CH 2N(H)PH3}(Cl)(H2CO)] complex. Eight diastereomeric pathways have been followed for the cis addition of molecular hydrogen to [Rh{H3POCH2CH2N(H)PH 3}(Cl)(H2CO)] leading to eight distinct isomeric dihydride intermediates. Four dihydride complexes can be considered as the more accessible compounds. The site preference for migratory insertion and transition states discriminates the main path of the catalytic reaction. Migratory insertion to form the alkoxy hydride constitute the turn over limiting step of the process. The potential energy profile has been found to be smooth without excessive activation barriers. Wiley-VCH Verlag GmbH & Co. KGaA, 2006.
We¡¯ll also look at important developments in the pharmaceutical industry because understanding organic chemistry is important in understanding health, medicine, the role of 13031-04-4, and how the biochemistry of the body works.Recommanded Product: 13031-04-4
Reference£º
Tetrahydrofuran – Wikipedia,
Tetrahydrofuran | (CH2)3CH2O – PubChem