Imaging Nucleophilic Substitution Dynamics

Anion-molecule nucleophilic substitution (SN2) reactions are known for their rich reaction dynamics, caused by a complex potential energy surface with a submerged barrier and by weak coupling of the relevant rotational-vibrational quantum states. The dynamics of the SN2 reaction of Cl⁻ + CH₃I were u...

Full description

Saved in:
Bibliographic Details
Published in:Science (American Association for the Advancement of Science) 2008-01, Vol.319 (5860), p.183-186
Main Authors: Mikosch, J, Trippel, S, Eichhorn, C, Otto, R, Lourderaj, U, Zhang, J.X, Hase, W.L, Weidemüller, M, Wester, R
Format: Article
Language:English
Subjects:
Anions
Biochemistry
Biophysics
Chemical reactions
Chemistry
Energy
Exact sciences and technology
General and physical chemistry
Imaging
Ions
Kinetics and mechanisms
Organic chemistry
Potential energy
Quantum theory
Reactants
Reaction kinetics
Reaction mechanisms
Reactivity and mechanisms
Rotation
Scientific imaging
Theory of reactions, general kinetics
Theory of reactions, general kinetics. Catalysis. Nomenclature, chemical documentation, computer chemistry
Velocity
Citations: Items that this one cites
Items that cite this one
Online Access:Get full text
Tags: Add Tag
No Tags, Be the first to tag this record!
Description
Summary:Anion-molecule nucleophilic substitution (SN2) reactions are known for their rich reaction dynamics, caused by a complex potential energy surface with a submerged barrier and by weak coupling of the relevant rotational-vibrational quantum states. The dynamics of the SN2 reaction of Cl⁻ + CH₃I were uncovered in detail by using crossed molecular beam imaging. As a function of the collision energy, the transition from a complex-mediated reaction mechanism to direct backward scattering of the I⁻ product was observed experimentally. Chemical dynamics calculations were performed that explain the observed energy transfer and reveal an indirect roundabout reaction mechanism involving CH₃ rotation.
ISSN:0036-8075
1095-9203
DOI:10.1126/science.1150238