Atom-Tunneling in Chemistry

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.

References in corpus (4)

• First detection of triply-deuterated methanol
• Water Formation through a Quantum Tunneling Surface Reaction, OH + H2, at 10 K
• Quantum effects in the diffusion of hydrogen on Ru(0001)
• Two-Dimensional Quantum Dynamics of O${}_2$ Dissociative Adsorption on Ag(111)

Cited by in corpus (10)

• Formation of the prebiotic molecule NH${}_2$CHO on astronomical amorphous solid water surfaces: accurate tunneling rate calculations
• Quantum tunneling during interstellar surface-catalyzed formation of water: the reaction H + H${}_2$O${}_2$ $\to$ H${}_2$O + OH
• Atom Tunneling in the Water Formation Reaction H${}_2$ + OH $\to$ H${}_2$O + H on an Ice Surface
• Instanton Rate Constant Calculations Close to and Above the Crossover Temperature
• Dual-Level Approach to Instanton Theory
• Potential energy surface interpolation with neural networks for instanton rate calculations
• Rate constants from instanton theory via a microcanonical approach
• Comparison of classical reaction paths and tunneling paths studied with the semiclassical instanton theory
• Calculation of Reaction Rate Constants in the Canonical and Microcanonical Ensemble
• The role of atom tunneling in gas-phase reactions in planet-forming disks