Edinburgh Research Explorer

Optical activity of the super-atom molecular orbital (SAMO) states in Li@ C60+ conformers

Research output: Chapter in Book/Report/Conference proceedingConference contribution

Related Edinburgh Organisations

Open Access permissions

Open

Documents

  • Download as Adobe PDF

    Accepted author manuscript, 1 MB, PDF-document

    Licence: Creative Commons: Attribution (CC-BY)

Original languageEnglish
Title of host publicationAIP Conference Proceedings
PublisherAIP PRESS
Volume1906
Edition1
DOIs
Publication statusE-pub ahead of print - 28 Nov 2017

Publication series

NameAIP Conference Series
PublisherAIP
Volume1906

Abstract

Super Atom Molecular Orbitals (SAMOs) are electronic excited states found in fullerenes in which an electron is excited to one or, more generally, several virtual orbitals with hydrogen like character. The photoexcitation mechanism of the SAMO states strongly depends on the symmetry of the fullerene. For instance the SAMOs of the spherical C60 fullerene are not optically active while breaking the symmetry by adding a dopant can make the SAMO states optically active. In this proceeding we investigate the optical activity of the SAMO states in several conformers of the Li@ C60+ fullerene and we show that the position of the lithium atom inside the fullerene cage strongly affects the computed oscillator strengths and transition dipole moments of the SAMO states.

Download statistics

No data available

ID: 57767396