The chemistry induced by mechanical load

TL;DR

This paper summarizes recent advances in mechanochemistry, highlighting how mechanical load can induce chemical reactions such as solvolysis and redox processes, with computational modeling providing detailed mechanistic insights.

Contribution

It reviews experimental and theoretical findings on mechanochemistry, emphasizing the role of CPMD simulations in understanding complex reaction mechanisms under mechanical stress.

Findings

Mechanical load often causes solvolysis instead of simple bond rupture

Mechanically induced redox reactions have been experimentally observed and modeled

CPMD simulations enable detailed understanding of multi-step mechanochemical mechanisms

Abstract

Results in the field of mechanochemistry are summarized. For example under mechanical load often a solvolysis is observed instead of a simple homolytic bond rupture. Also a mechanically induced redox reaction was reported experimentally and could be modelled theoretically. With CPMD simulations it is possible to understand multi-step mechanisms in full detail.