A computational investigation of stereochemical preferences in the oxidative addition of allylic substrates on Mo(CO)3L: L = (S,S)-(2-pyridinecarboxamide)-(2-phenylcarboxamide)-1,2-cyclohexane
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Add time:07/17/2019 Source:sciencedirect.com
The coordination and oxidative addition of (E)-3-phenyl-2-propenyl methyl carbonate (1) and (S/R)-1-phenyl-2-propenyl methyl carbonates (2) on Mo(CO)3L have been investigated computationally. In addition to the anticipated η2 coordination mode of these allylic carbonates prior to their oxidative addition on molybdenum, hydrogen bonding between the leaving group of the substrates and the coordinated amide group of L as well as between the amide groups of L, plays an important role in the stereochemical control of this reaction.
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