Snap-shots of cluster growth: structure and properties of a Zintl ion with an Fe3 core, [Fe3Sn18]4.

Li, Zi-Sheng; Chen, Wei-Xing; Morgan, Harry W T; Shu, Cong-Cong; McGrady, John E; Sun, Zhong-Ming

Snap-shots of cluster growth: structure and properties of a Zintl ion with an Fe₃ core, [Fe₃Sn₁₈]⁴.

Li, Zi-Sheng; Chen, Wei-Xing; Morgan, Harry W T; Shu, Cong-Cong; McGrady, John E; Sun, Zhong-Ming.

Afiliação

Li ZS; Department of Chemistry, University of Oxford South Parks Road Oxford OX1 3QR UK john.mcgrady@chem.ox.ac.uk.
Chen WX; State Key Laboratory of Elemento-Organic Chemistry, Tianjin Key Lab for Rare Earth Materials and Applications, School of Materials Science and Engineering, Nankai University Tianjin 300350 China sunlab@nankai.edu.cn.
Morgan HWT; Department of Chemistry, University of Oxford South Parks Road Oxford OX1 3QR UK john.mcgrady@chem.ox.ac.uk.
Shu CC; State Key Laboratory of Elemento-Organic Chemistry, Tianjin Key Lab for Rare Earth Materials and Applications, School of Materials Science and Engineering, Nankai University Tianjin 300350 China sunlab@nankai.edu.cn.
McGrady JE; Department of Chemistry, University of Oxford South Parks Road Oxford OX1 3QR UK john.mcgrady@chem.ox.ac.uk.
Sun ZM; State Key Laboratory of Elemento-Organic Chemistry, Tianjin Key Lab for Rare Earth Materials and Applications, School of Materials Science and Engineering, Nankai University Tianjin 300350 China sunlab@nankai.edu.cn.

Chem Sci ; 15(3): 1018-1026, 2024 Jan 17.

Article em En | MEDLINE | ID: mdl-38239679

ABSTRACT

ABSTRACT

The endohedral Zintl-ion cluster [Fe3Sn18]4- contains a linear Fe3 core with short Fe-Fe bond lengths of 2.4300(9) Å. The ground state is a septet, with significant σ and π contributions to the Fe-Fe bonds. The Sn18 cage is made up of two partially fused Sn9 fragments, and is structurally intermediate between [Ni2CdSn18]6-, where the fragments are clearly separated and [Pd2Sn18]4-, where they are completely fused. It therefore represents an intermediate stage in cluster growth. Analysis of the electronic structure suggests that the presence of the linear Fe-Fe-Fe unit is an important factor in directing reactions towards fusion of the two Sn9 units rather than the alternative of oligomerization via exo bond formation.

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Texto completo: 1 Coleções: 01-internacional Base de dados: MEDLINE Idioma: En Revista: Chem Sci Ano de publicação: 2024 Tipo de documento: Article