Atom-Tunneling in Chemistry

TL;DR

This paper discusses the significance of quantum atom-tunneling in chemical reactions, highlighting experimental detection methods and computational insights into its effects on reaction pathways and rates.

Contribution

It provides a comprehensive overview of atom-tunneling's role in chemistry, combining experimental detection techniques with computational analysis of its impact on reaction mechanisms.

Findings

Atom-tunneling affects reaction rates and pathways.

Tunneling enables reactions in astrochemical environments.

Experimental signatures include temperature-independent rates.

Abstract

Quantum mechanical tunneling of atoms is increasingly found to play an important role in many chemical transformations. Experimentally, atom-tunneling can be indirectly detected by temperature-independent rate constants at low temperature or by enhanced kinetic isotope effects. On the contrary, using computational investigations the influence of tunneling on the reaction rates can directly be monitored. The tunnel effect, for example, changes reaction paths and branching ratios, enables chemical reactions in an astrochemical environment that would be impossible by thermal transition, and influences biochemical processes.