Ligand-free supermolecules: [Pd2@Ge18]4− and [Pd2@Sn18]4− as multiple-bonded Zintl-ion clusters based on Pd@Ge9 and Pd@Sn9 assembled units

Rodríguez-Kessler, Peter L.; Muñoz-Castro, Alvaro

doi:10.1039/d4nr00220b

Nanoscale

2024

DOI: 10.1039/d4nr00220b

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Ligand-free supermolecules: [Pd₂@Ge₁₈]⁴⁻ and [Pd₂@Sn₁₈]⁴⁻ as multiple-bonded Zintl-ion clusters based on Pd@Ge₉ and Pd@Sn₉ assembled units

Peter L. Rodríguez-Kessler,

Alvaro Muñoz-Castro

Abstract: Intercluster bonding features are relevant to bringing building blocks on the road to molecularly conceived materials in a rational fashion. Such characteristics have been developed for coinage metal clusters resembling...

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Structures, electronic properties and dipole magnitudes of the TMWn–1O3n (TM = Mn, Fe and Co, n = 2 ~ 6) clusters

Li,

Wu,

Zhao

2024

Res Chem Intermed

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Structures, electronic properties and dipole magnitudes of the TMWn–1O3n (TM = Mn, Fe and Co, n = 2 ~ 6) clusters

Li,

Wu,

Zhao

2024

Res Chem Intermed

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Three-Supercenter Two-Electron Bonds in C₁₆H₁₀: Two-Dimensional Analogue of Halogen-Bridge Bonding

Zhang,

Guo,

Yuan

et al. 2024

J. Phys. Chem. A

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Three-center two-electron bridging bonding plays a vital role in rationalizing structures and stabilities of certain molecules. Herein, the π electron rule of pyrene (C 16 H 10 ) was unraveled based on a newly proposed two-dimensional (2D) superatomic-molecule theory, where the superatomic sextet rule was regarded as a π electron counting target. C 16 H 10 can be taken as a ◊ N 2 ◊ F 2 superatomic molecule, where ◊ N and ◊ F denote 2D superatoms bearing 3π and 5π electrons, respectively. Interestingly, it represents the first 2D superatomic halogen-bridge molecule, which realizes π electronic shell-closure via two three-supercenter twoelectron bridging bonds. Additionally, a N-doped nanoporous graphene with a wide band gap (1.22 eV) was designed based on C 16 H 10 , which can be considered as a periodic aggregate of 2D superatomic wires composed of 2π-◊ C and bridging ◊ F superatoms. This work enriches the 2D superatomic-molecule chemistry and provides a practicable bottom-up assemble approach to obtain 2D functional materials with tunable band gaps.

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Ligand-free supermolecules: [Pd₂@Ge₁₈]⁴⁻ and [Pd₂@Sn₁₈]⁴⁻ as multiple-bonded Zintl-ion clusters based on Pd@Ge₉ and Pd@Sn₉ assembled units

Abstract: Intercluster bonding features are relevant to bringing building blocks on the road to molecularly conceived materials in a rational fashion. Such characteristics have been developed for coinage metal clusters resembling...

Cited by 2 publications

References 103 publications

Structures, electronic properties and dipole magnitudes of the TMWn–1O3n (TM = Mn, Fe and Co, n = 2 ~ 6) clusters

Structures, electronic properties and dipole magnitudes of the TMWn–1O3n (TM = Mn, Fe and Co, n = 2 ~ 6) clusters

Three-Supercenter Two-Electron Bonds in C₁₆H₁₀: Two-Dimensional Analogue of Halogen-Bridge Bonding

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Ligand-free supermolecules: [Pd2@Ge18]4− and [Pd2@Sn18]4− as multiple-bonded Zintl-ion clusters based on Pd@Ge9 and Pd@Sn9 assembled units

Abstract: Intercluster bonding features are relevant to bringing building blocks on the road to molecularly conceived materials in a rational fashion. Such characteristics have been developed for coinage metal clusters resembling...

Cited by 2 publications

References 103 publications

Structures, electronic properties and dipole magnitudes of the TMWn–1O3n (TM = Mn, Fe and Co, n = 2 ~ 6) clusters

Structures, electronic properties and dipole magnitudes of the TMWn–1O3n (TM = Mn, Fe and Co, n = 2 ~ 6) clusters

Three-Supercenter Two-Electron Bonds in C16H10: Two-Dimensional Analogue of Halogen-Bridge Bonding

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Ligand-free supermolecules: [Pd₂@Ge₁₈]⁴⁻ and [Pd₂@Sn₁₈]⁴⁻ as multiple-bonded Zintl-ion clusters based on Pd@Ge₉ and Pd@Sn₉ assembled units

Three-Supercenter Two-Electron Bonds in C₁₆H₁₀: Two-Dimensional Analogue of Halogen-Bridge Bonding