Volume 217, 2019

Model potential study of non-valence correlation-bound anions of (C60)n clusters: the role of electric field-induced charge transfer

Abstract

A polarization model which accounts for electric field-induced charge transfer between fullerene molecules is introduced. Application of this model to the C60 dimer and trimer shows that intermolecular charge transfer makes a significant contribution to the polarizabilities of these clusters. This polarization model is incorporated into a one-electron Hamiltonian for describing non-valence correlation-bound anions, allowing us to further demonstrate that intermolecular charge transfer also results in increased stability of these anion states.

Graphical abstract: Model potential study of non-valence correlation-bound anions of (C60)n clusters: the role of electric field-induced charge transfer

Associated articles

Supplementary files

Article information

Article type
Paper
Submitted
21 nov 2018
Accepted
29 nov 2018
First published
29 nov 2018

Faraday Discuss., 2019,217, 547-560

Author version available

Model potential study of non-valence correlation-bound anions of (C60)n clusters: the role of electric field-induced charge transfer

T. H. Choi and K. D. Jordan, Faraday Discuss., 2019, 217, 547 DOI: 10.1039/C8FD00199E

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