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Imaging · dataset · 2026

From Molecule to Nanocrystal in Real Time: In-Situ Solid-State NMR Uncovers Divergent Decomposition Mechanisms of Cadmium Chalcogenide Precursors

Listed in ZivaHub and Deakin Research Online and DMU Figshare and HKU DataHub and Swinburne Figshare and DaYta Ya Rona and SUNScholarData and figshare and Loughborough Research Repository and GRANTS Data and UP Research Data Repository — shown once because both records carry DOI 10.48420/34018419.v1

<p dir="ltr">Nanocrystalline metal chalcogenides are an important class of materials for energy-related applications.

Description

A powerful synthetic route to these materials is the single-source precursor (SSP) approach, in which molecular precursors containing metal and chalcogenide sources are thermally decomposed to generate metal chalcogenide nanocrystals. The morphology, quality, and functional properties of the resulting nanomaterials are dictated by the underlying decomposition mechanism.

In this study, we performed in situ solid-state NMR (ssNMR) spectroscopy as a method for tracking these transformations in real time. By acquiring time-resolved <sup>1</sup>H, <sup>13</sup>C, and <sup>113</sup>Cd spectra during controlled heating, ligand mobility, carbon bond evolution, and cadmium coordination are followed. This method provides both structural and kinetic information largely inaccessible through ex situ studies.

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Applied to two types of SSPs, dicadmium(II) tetrakis(N-benzoyl-N′,N′-diisobutylselenourea) and cadmium ethyl xanthate, the technique resolves fundamentally different decomposition routes: a direct single-step conversion versus a multistage pathway involving transient xanthate and disulfide intermediates followed by ligand rearrangement. These results demonstrate that in situ ssNMR spectroscopy can classify precursor reactivity into mechanistic archetypes, cor-relate ligand dynamics with nanocrystal nucleation, and identify surface-bound species as they emerge. </p>

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Provenance · 11 source records, 109 field assertions
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ZivaHuboai:figshare.com:article/340184196 d agoJSON v1
Deakin Research Onlineoai:figshare.com:article/340184196 d agoJSON v1
DMU Figshareoai:figshare.com:article/340184196 d agoJSON v1
HKU DataHuboai:figshare.com:article/340184196 d agoJSON v1
Swinburne Figshareoai:figshare.com:article/340184196 d agoJSON v1
DaYta Ya Ronaoai:figshare.com:article/340184196 d agoJSON v1
SUNScholarDataoai:figshare.com:article/340184196 d agoJSON v1
figshareoai:figshare.com:article/340184195 d agoJSON v1
Loughborough Research Repositoryoai:figshare.com:article/340184195 d agoJSON v1
GRANTS Dataoai:figshare.com:article/340184195 d agoJSON v1
UP Research Data Repositoryoai:figshare.com:article/340184195 d agoJSON v1
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