Global and local minima of protonated acetonitrile clusters
Alhadji Malloum, Jeanet Conradie
Abstract
Potential energy surfaces of protonated acetonitrile clusters have been explored to locate global and local minima energy structures. The structures are stabilized by strong hydrogen bonds, anti-parallel dimers, dipole–dipole and CH⋯N interactions.
Topics & Concepts
ChemistryMaxima and minimaProtonationAcetonitrileDipoleHydrogen bondChemical physicsComputational chemistryCrystallographyMoleculeOrganic chemistryIonMathematical analysisMathematicsAdvanced Chemical Physics StudiesCrystallography and molecular interactionsMolecular Spectroscopy and Structure