Nanomaterials
Gold chloride cluster anions grow as zigzag chains
Open access · cc by · source: Europe PMC
LDI-MS detects Au_nCl_{n+3}– anions whose lowest isomers are zigzag chains starting from AuCl4–, growing exergonically by about 41–44 kcal mol–1.
Study at a glance
- Design
- Computational / modelling — LDI-TOF of HAuCl4 with global-search structures of Au_nCl_{n+3}– clusters
- N
- Gas-phase cluster mass spectrometry plus DFT — no sample N
- Population
- Gold chloride cluster anions Au_nCl_{n+3}–
- Outcome
- Lowest-energy structures and exergonic growth pathway R1
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Key findings
AuCl4– is the strongest peak; Au_nCl_{n+1}–, Au_nCl_{n+3}– and Au_nCl_{n+5}– appear for n=1–4. Lowest Au_nCl_{n+3}– isomers share a zigzag skeleton; R1 growth is exergonic (ΔE −41 to −44 kcal mol–1).
Methodology
Authors recorded matrix-free LDI-TOF mass spectra of HAuCl4 and globally searched Au_nCl_{n+3}– (n=2–4, then 5–7) at TPSSh/aug-cc-pVTZ/ECP60MDF.
Limitations
No condensed-phase isolation of the clusters; n>4 isomers are computational extensions; LDI may not match Brust-Schiffrin solution intermediates.
How this study connects
Role on claims
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Evidence for the claim as stated.
LDI-MS detects Au_nCl_{n+3}– anions whose lowest isomers are zigzag chains starting from AuCl4–, growing exergonically by about 41–44 kcal mol–1.
Evidence for the claim as stated.
Size and support change activity as much as composition; a TEM image is not a mechanism.
Evidence for the claim as stated.
Open questions
Tensions this paper is part of
From concept pages' “where studies disagree.” Disagreement means the same question; scope means different assays, populations, or outcomes.
Size and support change activity as much as composition; a TEM image is not a mechanism.
- Supports · XPS and SIMS map thioglucose SAMs on gold
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