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Eight-electron Pt/Cu superatom encapsulating three "electron-donating" hydrides
Ayisha He1, Dongjie Zuo1, Guangmei Jiang1
1College of Energy Materials and Chemistry, Inner Mongolia University, Hohhot 010021, China.
Science Advances
|January 8, 2025
Summary
This study introduces a novel platinum-copper nanocluster containing three electron-donating hydrides. This discovery advances understanding of metal nanocluster electronic properties and potential applications.
Area of Science:
- Inorganic Chemistry
- Materials Science
- Nanotechnology
Background:
- Metal hydrides are typically electron-withdrawing.
- Recent research shows electron-donating hydrides can tune metal nanocluster properties.
- Existing clusters are limited to one or two such hydrides, with no models for three.
Purpose of the Study:
- To present a precise structure of a superatomic nanocluster with three interstitial electron-donating hydrides.
- To investigate the electronic contributions of these hydrides within the cluster.
Main Methods:
- Synthesis and structural characterization of the PtH3Cu23 nanocluster.
- Density functional theory (DFT) calculations to analyze electronic structure and hydride contributions.
Main Results:
- A structurally precise superatomic nanocluster, PtH3Cu23, containing three interstitial electron-donating hydrides was synthesized.
- The cluster features a PtCu12 core with three hydrides in a distorted anticuboctahedral arrangement.
- DFT calculations confirmed that the three hydrides contribute valence electrons to an eight-electron superatom count.
Conclusions:
- The synthesized PtH3Cu23 nanocluster represents a rare example of a platinum-included copper-hydride superatom.
- This work demonstrates the successful encapsulation of three electron-donating hydrides, expanding the known chemistry of metal nanoclusters.
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