Related Experiment Video
Updated: Jun 8, 2026

1,3,5-Triphenylbenzene and Corannulene as Electron Receptors for Lithium Solvated Electron Solutions
Published on: October 10, 2016
Electronic and vibrational linear and nonlinear polarizabilities of Li@C60 and [Li@C60]+
H Reis1, O Loboda, A Avramopoulos
1Institute of Organic and Pharmaceutical Chemistry, The National Hellenic Research Foundation, Athens, Greece. hreis@eie.gr
Abstract:
Electronic and vibrational nuclear relaxation (NR) contributions to the dipole (hyper)polarizabilities of the endohedral fullerene Li@C(60) and its monovalent cation [Li@C(60)](+) are calculated at the (U)B3LYP level. Many results are new, while others differ significantly from those reported previously using more approximate methods. The properties are compared with those of the corresponding hypothetical noninteracting systems with a valence electron transferred from Li to the cage. Whereas the NR contribution to the static linear polarizabilities is small in comparison with the corresponding electronic property, the opposite is true for the static hyperpolarizabilities. A relatively small, but non-negligible, NR contribution to the dc-Pockels effect is obtained in the infinite frequency approximation.
More Related Videos
08:44Measurements of Long-range Electronic Correlations During Femtosecond Diffraction Experiments Performed on Nanocrystals of Buckminsterfullerene
Published on: August 22, 2017
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
Trends in Lattice Energy: Ion Size and Charge
π Molecular Orbitals of the Allyl Cation and Anion
Molecular Orbital Theory II
Bond Polarity, Dipole Moment, and Percent Ionic Character
Lewis Structures of Molecular Compounds and Polyatomic Ions
π Electron Effects on Chemical Shift: Overview