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Dynamical resonances in chemical reactions.
Tao Wang1, Tiangang Yang, Chunlei Xiao
1State Key Laboratory of Molecular Reaction Dynamics, Dalian Institute of Chemical Physics, Chinese Academy of Sciences, 457 Zhongshan Road, Dalian, Liaoning 116023, China. chunleixiao@dicp.ac.cn zsun@dicp.ac.cn zhangdh@dicp.ac.cn xmyang@dicp.ac.cn.
Chemical Society Reviews
|June 30, 2018
Summary
Reactive resonances significantly impact chemical reaction dynamics. This study uses advanced spectroscopy and quantum calculations to explore these transition state phenomena in bimolecular reactions.
Area of Science:
- Chemical Kinetics and Dynamics
- Quantum Chemistry
- Molecular Scattering
Background:
- The transition state is crucial for understanding chemical kinetics and reaction dynamics.
- Gas-phase chemical reactions are quantum mechanical molecular scattering processes.
- Investigating quantum structures like reactive resonances in the transition state is a key research area.
Purpose of the Study:
- To review recent advancements in studying resonances in elementary bimolecular reactions.
- To highlight the application of advanced transition state spectroscopy methods.
- To elucidate the influence of reactive resonances on reaction dynamics.
Main Methods:
- Utilizing high-resolution photoelectron spectroscopy.
- Employing quantum state specific backward scattering spectroscopy.
- Performing high-level quantum dynamics calculations with accurate potential energy surfaces.
- Interpreting dynamics using scattering wavefunctions from time-dependent wavepacket calculations.
Main Results:
- Experimental findings are corroborated by theoretical quantum dynamics calculations.
- Reactive resonances are shown to significantly influence the dynamics of elementary chemical reactions.
- Detailed quantum structures in the transition state region are probed.
Conclusions:
- Reactive resonances play a critical role in the dynamics of elementary chemical reactions.
- State-of-the-art spectroscopy and quantum calculations provide deep insights into transition state dynamics.
- Understanding these resonances is essential for advancing chemical kinetics and reaction dynamics.
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