A1 Alkuperäisartikkeli tieteellisessä aikakauslehdessä
What Contributes to the Measured Chiral Optical Response of the Glutathione-Protected Au25 Nanocluster? (2023)

Monti, M., Matus, M. F., Malola, S., Fortunelli, A., Aschi, M., Stener, M., & Häkkinen, H. (2023). What Contributes to the Measured Chiral Optical Response of the Glutathione-Protected Au25 Nanocluster?. Acs Nano, 17(12), 11481-11491. https://doi.org/10.1021/acsnano.3c01309

JYU-tekijät tai -toimittajat

Matus Cortés, Maria
Malola, Sami
Häkkinen, Hannu

Julkaisun tiedot

Julkaisun kaikki tekijät tai toimittajat: Monti, Marta; Matus, María Francisca; Malola, Sami; Fortunelli, Alessandro; Aschi, Massimiliano; Stener, Mauro; Häkkinen, Hannu

Lehti tai sarja: Acs Nano

ISSN: 1936-0851

eISSN: 1936-086X

Julkaisuvuosi: 2023

Ilmestymispäivä: 08.06.2023

Volyymi: 17

Lehden numero: 12

Artikkelin sivunumerot: 11481-11491

Kustantaja: American Chemical Society (ACS)

Julkaisumaa: Yhdysvallat (USA)

Julkaisun kieli: englanti

DOI: https://doi.org/10.1021/acsnano.3c01309

Julkaisun avoin saatavuus: Avoimesti saatavilla

Julkaisukanavan avoin saatavuus: Osittain avoin julkaisukanava

Julkaisu on rinnakkaistallennettu (JYX): https://jyx.jyu.fi/handle/123456789/87677

Tiivistelmä

The water-soluble glutathione-protected [Au25(GSH)18]−1 nanocluster was investigated by integrating several methodologies such as molecular dynamics simulations, essential dynamics analysis, and state-of-the-art time-dependent density functional theory calculations. Fundamental aspects such as conformational, weak interactions and solvent effects, especially hydrogen-bonds, were included and found to play a fundamental role in assessing the optical response of this system. Our analysis demonstrated not only that the electronic circular dichroism is extremely sensitive to the solvent presence but also that the solvent itself plays an active role in the optical activity of such system, forming a chiral solvation shell around the cluster. Our work demonstrates a successful strategy to investigate in detail chiral interfaces between metal nanoclusters and their environments, applicable, e.g., to chiral electronic interactions between clusters and biomolecules.

YSO-asiasanat: kulta; nanohiukkaset; klusterit; molekyylidynamiikka; tiheysfunktionaaliteoria

Vapaat asiasanat: nanoklusterit

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