How many bound valence states does the C₆₀⁻ anion have?
Evgeniy V Gromov1, Shachar Klaiman2, Lorenz S Cederbaum2
1Department of Biomolecular Mechanisms, Max-Planck Institute for Medical Research Jahnstraße 29, D-69120 Heidelberg, Germany. evgeniy.gromov@mpimf-heidelberg.mpg.de and Laboratory of Quantum Chemistry, Computer Center, Irkutsk State University K. Marks 1, 664003 Irkutsk, Russian Federation.
Abstract:
We report on unprecedentedly large coupled cluster calculations for the C60(-) anion, and on a heuristic model uncovering the valence states of C60(-) that allow the resolution of the headlined question. Our results convincingly demonstrate that C60(-) possesses as many as four bound valence states: (2)T1u, (2)T1g, (2)T2u and (2)Hg. Our findings reconcile previous controversies regarding the existence of the bound (2)T2u and (2)Hg states. For all bound states of C60(-) we present an analysis of the radial and angular distributions of the excess electron, which reveals some unique properties of the valence states. Some interesting features of the introduced model are analyzed and discussed.
More Related Videos
08:40Preparation and Characterization of C60/Graphene Hybrid Nanostructures
Published on: May 15, 2018
08:54Vibrational Spectra of a N719-Chromophore/Titania Interface from Empirical-Potential Molecular-Dynamics Simulation, Solvated by a Room Temperature Ionic Liquid
Published on: January 25, 2020
Related Concept Videos
π Molecular Orbitals of the Allyl Cation and Anion
Valence Bond Theory
Valence Bond Theory
Aromatic Hydrocarbon Anions: Structural Overview
Due to the absence of continuous...
Aromatic Hydrocarbon Cations: Structural Overview
Removing one hydrogen from the intervening CH2 group...
Carbocations
