Chemical reaction dynamics
Guest editors Xueming Yang, David Clary and Daniel Neumark introduce the chemical reaction dynamics themed issue of Chemical Society Reviews.
Dynamical resonances in chemical reactions
The transition state is a key concept in the field of chemistry and is important in the study of chemical kinetics and reaction dynamics.
Dynamics of transient species via anion photodetachment
Recent experimental and theoretical advances in transient reaction dynamics probed by photodetachment of polyatomic anions are reviewed.
Crossed beam polyatomic reaction dynamics: recent advances and new insights
This review summarizes the developments in polyatomic reaction dynamics, focusing on reactions of unsaturated hydrocarbons with O-atoms and methane with atoms/radicals.
Variational transition state theory: theoretical framework and recent developments
This article reviews the fundamentals of variational transition state theory (VTST), its recent theoretical development, and some modern applications.
Recent advances in quantum scattering calculations on polyatomic bimolecular reactions
This review surveys quantum scattering calculations on chemical reactions of polyatomic molecules in the gas phase published in the last ten years.
Imaging the dynamics of ion–molecule reactions
A range of ion–molecule reactions have been studied in the last years using the crossed-beam ion imaging technique, from charge transfer and proton transfer to nucleophilic substitution and elimination.
Theories and simulations of roaming
We review the theories and simulations that have recently been developed to address and understand a new reaction phenomenon called roaming.
Taking the plunge: chemical reaction dynamics in liquids
Experimental and computational studies of chemical dynamics in solution explore how a solvent modifies reaction mechanisms.
Structure-dependent reactivity of Criegee intermediates studied with spectroscopic methods
Criegee intermediates can be prepared by two methods and may play important roles in atmospheric chemistry. Anti-type Criegee intermediates react quickly with water dimer; Syn-type Criegee intermediates may undergo thermal decomposition via intramolecular hydrogen atom tunneling. In addition, the pros and cons of each spectroscopic method in probing Criegee intermediates in kinetic experiments will also be discussed.
About this collection
Chemical reaction dynamics has been an essential research field in chemistry as it can provide the most fundamental understanding of chemical reaction processes as well as important support for many important research areas such as combustion chemistry, interstellar chemistry, and atmospheric chemistry. Developments in this field have greatly enhanced our understanding of the nature of important chemical reactions, as well as intermolecular and intra-molecular energy transfer processes involving key reactive species and radicals. Significant progress has been made during the last decade or so, owing to the developments of many new and state-of-the-art experimental techniques and theoretical methods during that period. In view of these new developments, this Chemical Society Reviews themed issue, guest edited by Xueming Yang (Chinese Academy of Sciences), David Clary (University of Oxford) and Daniel Neumark (University of California, Berkeley) aims to provide both graduate students and experts a close, critical look at these recent advances in both experimental and theoretical research in chemical reaction dynamics.