Quantum scattering of icosahedron fullerene C₆₀ with noble-gas atoms.

ABSTRACT: There exist multiple ways to cool neutral molecules. A front runner is the technique of buffer gas cooling, where momentum-changing collisions with abundant cold noble-gas atoms cool the molecules. This approach can, in principle, produce the most diverse samples of cold molecules. We present quantum mechanical and semiclassical calculations of the elastic scattering differential cross sections and rate coefficients of the C₆₀ fullerene with He and Ar noble-gas atoms in order to quantify the effectiveness of buffer gas cooling for this molecule. We also develop new three-dimensional potential energy surfaces for this purpose using dispersion-corrected density functional theory (DFT) with counterpoise correction. The icosahedral anisotropy of the molecular system is reproduced by

SUBMITTER: Klos J 

PROVIDER: S-EPMC11551206 | biostudies-literature | 2024 Apr

REPOSITORIES: biostudies-literature