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.
How this study connects
Role on claims
Each row is a claim on a concept or method page where this paper supports, challenges, or qualifies the statement. Roles are hand-checked — not a model guess.
This library holds 12 empirical chemistry papers on nanomaterials with isolated findings, rates or spectra rather than reviews.
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
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
Structured fields used in claim comparison tables when every cited study has a complete layer.
Inspect source passages
Gold chloride cluster anions grow as zigzag chains
These passages occur verbatim in the stored paper text. They support the points listed below; they do not verify every statement in the explanation.
What DFT level was used?
All structures have been optimized by the Gaussian 09 program at the level of TPSSh with the Stuttgart energy-consistent relativistic pseudopotentials ECP60MDF
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.
Related papers in this topic
Same topic cluster — not a recommendation engine.