Mode-specific quasi-classical dynamics of the F − + SiH 3 Cl system
Abstract
formation. From the QCT simulations, reaction probabilities, integral cross sections, initial attack angle and scattering angle distributions, and product energy distributions (internal, translational, vibrational, and rotational) were derived. Notably, excitation of SiH stretching modes led to a modest reduction in cross sections for chloride-ion substitution, whereas other product channels showed mild to significant enhancements. Excitation of other vibrational modes minimally impacted chloride-substitution and proton-abstraction cross sections, but significantly, although less markedly than SiH stretching modes, enhanced the remaining product channels. The initial attack angle and scattering angle distributions are not affected by vibrational excitations for all product channels, and the post-reaction energy distributions showed minimal effects.
Fields of Study & Subjects
Advanced Chemical Physics Studies
High-pressure geophysics and materials
Quantum
superfluid
helium dynamics
Publication details
- Journal / source
- Physical Chemistry Chemical Physics
- Publisher
- Royal Society of Chemistry (RSC)
- Volume
- 28
- Issue
- 9
- Pages
- 5948–5957
- Publication date
- 1 January 2026
- Language
- EN