Ground and excited electronic structures of metal encapsulated nanocages: the cases of endohedral M@C20H20 (M = K, Rb, Ca, Sr) and M@C36H36 (M = Na, K, Rb)-Reference-Cited by-同舟云学术

Ground and excited electronic structures of metal encapsulated nanocages: the cases of endohedral M@C20H20 (M = K, Rb, Ca, Sr) and M@C36H36 (M = Na, K, Rb)

Published:2021 Issue:34 Volume:23 Page:18588-18594
ISSN:1463-9076
Container-title:Physical Chemistry Chemical Physics
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

Ariyarathna Isuru R.¹^ORCID

Affiliation:

1. Department of Chemistry and Biochemistry, Auburn University, Auburn, AL 36849-5312, USA

Abstract

Group I and II metal atom encapsulated C20H20/C36H36 can be recognized as superatoms owing to the shapes of their molecular orbitals. This work discloses specific superatomic Aufbau models of M@C20H20 (M = K, Rb, Ca, Sr) and M@C36H36 (M = Na, K, Rb).

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://pubs.rsc.org/en/content/articlepdf/2021/CP/D1CP03146E

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