Reaction of the ground-state Al(2P) with silane: Examination of the potential energy surfaces for complexation, insertion and interconversion

The reaction between the ground-state Al(2P) and SiH4 is studied using ab initio single-reference CCSD(T) and multi-reference MRMP2 methods. The potential energy surfaces for complexation, insertion of Al(2P) into SiH4 to form SiH3AlH radical and subsequent rearrangements of the insertion product are examined.