Palladium cluster complex [Pd13(μ4-C7H7)6]2+ (C7H7 = tropylium) with an fcc-close-packed cuboctahedral Pd13 core and isomers: theoretical insight into ligand-control of the Pd13 core structure-Reference-Cited by-同舟云学术

Palladium cluster complex [Pd₁₃(μ₄-C₇H₇)₆]²⁺ (C₇H₇ = tropylium) with an fcc-close-packed cuboctahedral Pd₁₃ core and isomers: theoretical insight into ligand-control of the Pd₁₃ core structure

Published:2023 Issue:37 Volume:25 Page:25670-25680
ISSN:1463-9076
Container-title:Physical Chemistry Chemical Physics
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

Zhu Bo¹^ORCID,Murahashi Tetsuro²^ORCID,Sakaki Shigeyoshi³^ORCID

Affiliation:

1. Institute of Functional Materials Chemistry, Faculty of Chemistry, Northeast Normal University, Changchun 130024, P. R. China

2. Department of Chemical Science and Engineering, School of Materials and Chemical Technology, Tokyo Institute of Technology, O-okayama, Meguro-ku, Tokyo 152-8552, Japan

3. Institute for Integrated Cell-Material Sciences, Rohm Plaza R312, Kyoto University, Kyoto-Daigaku Katsura, Nishikyo-ku, Kyoto 615-8246, Japan

Abstract

The fcc-cuboctahedral Pd13 complex is more stable than the hcp-anticuboctahedral and non-close packed icosahedral Pd13 complexes as the interaction energy between the Pd13 core and the (C7H7)6 ligand shell is larger in the former than in the latter.

Funder

Mitsubishi Foundation

Japan Society for the Promotion of Science

Japan Science and Technology Agency

National Natural Science Foundation of China

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://pubs.rsc.org/en/content/articlepdf/2023/CP/D3CP03262K

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