Related Experiment Video
Updated: May 31, 2026

Spatial Separation of Molecular Conformers and Clusters
Published on: January 9, 2014
Potential energy surface and rotational cross sections for methyl formate colliding with helium
Alexandre Faure1, Krzysztof Szalewicz, Laurent Wiesenfeld
1UJF-Grenoble 1/CNRS, Institut de Planétologie et d'Astrophysique de Grenoble (IPAG) UMR 5274, Grenoble, F-38041, France. afaure@obs.ujf-grenoble.fr
Abstract:
A potential energy surface for helium interacting with methyl formate has been computed using high-level electronic structure methods. The interaction energies obtained on a three-dimensional grid have been fitted by an analytic function of interatomic distances with correct asymptotic behavior for large intermonomer separations. This potential has then been refitted using partial wave expansion in terms of the distance between centers of mass and spherical angles. The latter potential has been used to compute cross sections for the rotational excitations of methyl formate at the full quantum close-coupling level. Collisional propensity rules and astrophysical implications are discussed.
Related Concept Videos
Conformations of Ethane and Propane
Staggered conformation is a low energy and more stable conformation with the C-H bonds on the front carbon placed at 60°dihedral angles relative to the C-H bonds on the back carbon, leading to a reduced torsional strain. In staggered ethane, the...
Conformations of Butane
Hybridization of Atomic Orbitals I
VSEPR Theory and the Basic Shapes
Molecular Orbital Theory II
Standard Enthalpy of Formation

