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Chiral footprint of the ligand layer in the all-alkynyl-protected gold nanocluster Au144(CCPhF)60 (2019)


Malola, S., & Häkkinen, H. (2019). Chiral footprint of the ligand layer in the all-alkynyl-protected gold nanocluster Au144(CCPhF)60. Chemical Communications, 55(64), 9460-9462. https://doi.org/10.1039/C9CC04914B


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Julkaisun tiedot

Julkaisun kaikki tekijät tai toimittajatMalola, Sami; Häkkinen, Hannu

Lehti tai sarjaChemical Communications

ISSN1359-7345

eISSN1364-548X

Julkaisuvuosi2019

Volyymi55

Lehden numero64

Artikkelin sivunumerot9460-9462

KustantajaRoyal Society of Chemistry

JulkaisumaaBritannia

Julkaisun kielienglanti

DOIhttps://doi.org/10.1039/C9CC04914B

Julkaisun avoin saatavuusEi avoin

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Tiivistelmä

The electronic structure and chiroptical properties of the recently isolated and structurally characterized all-alkynyl-protected gold nanocluster Au144(CCPhF)60 were analyzed via density functional theory (DFT) computations and compared to those of the structurally similar all-thiolate-protected Au144(SCH2Ph)60. While DFT predicts very strong CD signals of similar strength for both clusters, the origins of chiroptical activity are markedly different. The chiral response of Au144(CCPhF)60 originates only from the footprint of the outermost gold-ligand layer of 30 FPhCC-Au-CCPhF units covering an achiral Ih-symmetric Au114 core whereas the Au114 core of the Au144(SCH2Ph)60 cluster has a chiral I symmetry and it alone produces CD signals that are comparable to those of the well-studied chiral Au38(SR)24. These signals are then amplified by a chiral arrangement of the protecting 30 PhH2CS-Au-SCH2Ph units. These results shed light on the origins of chiroptical activity of ligand-protected gold clusters that form an important class of atom-precise nanomaterials with potential applications in chiral sensing and enantioselective catalysis.


YSO-asiasanatnanohiukkasetligandittiheysfunktionaaliteoria


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Hankkeet, joissa julkaisu on tehty


OKM-raportointiKyllä

Raportointivuosi2019

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Viimeisin päivitys 2024-23-02 klo 19:30