Synthesis and X‐Ray Crystallographic Characterisation of Frustum‐Shaped Ligated [Cu₁₈H₁₆(DPPE)₆]²⁺ and [Cu₁₆H₁₄(DPPA)₆]²⁺ Nanoclusters and Studies on Their H₂ Evolution Reactions

Abstract

We report new structural motifs for Cu nanoclusters that conceptually represent seed crystals for large face-centred cubic (FCC) crystal growth. Kinetically controlled syntheses, high resolution mass spectrometry experiments for determination of the dication formulae and crystallographic characterisation were carried out for [Cu H (DPPE) ][BF ][Cl] (DPPE=bis(diphenylphosphino)ethane) and [Cu H (DPPA) ][(BF ) ] (DPPA=bis(diphenylphosphino)amine) polyhydrido nanoclusters, which feature the unprecedented bifrustum and frustum metal-core architecture in metal nanoclusters. The Cu nanocluster contains two Cu frustum cupolae and the Cu nanocluster has one Cu frustum cupola and a Cu distorted hexagonal-shape base. Gas-phase experiments revealed that both Cu H and Cu H cores can spontaneously release H upon removal of one bisphosphine capping ligand.

Deep Learning Accelerated Determination of Hydride Locations in Metal Nanoclusters

“…Although single‐crystal X‐ray diffraction could be routinely performed for those Cu and Ag nanoclusters to determine the positions of the heavy (that is, non‐H) atoms, locating the positions of hydrides has become a bottleneck, because of the challenge in growing a large enough crystal for neutron diffraction and the limited availability of a neutron source [8] . As a result, latest exciting progress in preparing larger hydride‐containing Cu and Ag nanoclusters has been reported without determining the hydride locations via neutron diffraction [9] or the neutron data are not high enough in quality [10] …”

Preise des Royal Australian Chemical Institute 2018

“…Hong entwirft und synthetisiert Fluoreszenzsonden, vor allem mit aggregationsinduzierter Emission, die Fehlfaltung und Modifikationen von Proteinen in Zellen anzeigen sollen. Sie ist Koautorin eines Beitrags in Chemistry—A European Journal über die Synthese und Charakterisierung von Kupfernanoclustern …”

Royal Australian Chemical Institute Awards 2018

“…Hong's research focuses on the design and synthesis of new fluorescent probes, mainly aggregation‐induced‐emission fluorogens, with sensitivity to protein misfolding and modifications in the cellular environment. She is co‐author of a report in Chemistry—A European Journal on the synthesis and characterization of copper nanoclusters …”