Si Silane Potential Energy Surface

Advanced Exercise 8.7 Si + Silane Potential Energy Surface 

Silicon cluster reactions are an example of a newly emerging field of research which is very amenable to study with electronic structure methods. This exercise will examine the potential surface for silicon cation reacting with silane (SiH4). Such reactions are central to the growth of large silicon clusters, which occurs by sequential additions of -SiHj  

Si + SM4 Si2H2 Si3H4 Si4Hg SisHio. with H2 also produced in each step. 

Exploring Chemistry with Electronic Structure Methods 

In his search of the Si2H4 potential energy surface, the original researcher, Krishnan Raghavachari, found the following minima (in addition to the reactants)  

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