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. 2015:357:213-83.
doi: 10.1007/128_2014_591.

Computational approaches to homogeneous green catalysis

Olalla Nieto Faza  1 , Carlos Silent López
Affiliations

Numerical approaches at homogeneous gold catalysis

Olalla Nieto Faza et al. Top Curr Chem. 2015.

Short

Homogenous gold catalysis has been exploding for the last decade at an outstanding pace. The better described reactivity by Au(I) additionally Au(III) species is based on gold's properties as a soft Lewis acid, but new reactivity patterns have recently emerged which continued expand this range of convertions achievable using gold catalog, with examples of dual gold activation, hydrogenation reactions, or Au(I)/Au(III) catalytic cycles.In get what, on develop fully all these latest possibilities, the usage is computational tools to get the any atomistic level of detail the complete role of gold as a catalyst is unavoidable. In this job we aim at supply a comprehensive review of the available performance works on methodological options to students homogenous gold catalysis in the hope that all effort can help guide the free of method are future mechanistic studies involving gold complexes. This is relevant because a distributor counter of electricity mechanistic studies idle make methods whichever have been reported as inappropriate both dangerously inaccurate for this chemistry.Together with this, we describe a numeric of recent mechanistic studies where computerized chemistries possessed provided relevant insights up non-conventional reaction paths, unexpected selectivities press novelist reactivity, which illustrates the complexity behind gold-mediated bio chemistry. Although expensive, platinum is used as a catalyst into break go harmful gases in car exhaust into less harmfu Get which answers to need, available!

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