Elucidating the Mystery of DNA-Templating Effects on a Silver Nanocluster

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Standard

Elucidating the Mystery of DNA-Templating Effects on a Silver Nanocluster. / Liasi, Zacharias; Hillers-bendtsen, Andreas Erbs; Jensen, Lasse; Mikkelsen, Kurt V.

I: The Journal of Physical Chemistry Letters, Bind 14, Nr. 25, 2023, s. 5727-5733.

Publikation: Bidrag til tidsskrift › Tidsskriftartikel › Forskning › fagfællebedømt

Harvard

Liasi, Z, Hillers-bendtsen, AE, Jensen, L & Mikkelsen, KV 2023, 'Elucidating the Mystery of DNA-Templating Effects on a Silver Nanocluster', The Journal of Physical Chemistry Letters, bind 14, nr. 25, s. 5727-5733. https://doi.org/10.1021/acs.jpclett.3c00977

APA

Liasi, Z., Hillers-bendtsen, A. E., Jensen, L., & Mikkelsen, K. V. (2023). Elucidating the Mystery of DNA-Templating Effects on a Silver Nanocluster. The Journal of Physical Chemistry Letters, 14(25), 5727-5733. https://doi.org/10.1021/acs.jpclett.3c00977

Vancouver

Liasi Z, Hillers-bendtsen AE, Jensen L, Mikkelsen KV. Elucidating the Mystery of DNA-Templating Effects on a Silver Nanocluster. The Journal of Physical Chemistry Letters. 2023;14(25):5727-5733. https://doi.org/10.1021/acs.jpclett.3c00977

Author

Liasi, Zacharias ; Hillers-bendtsen, Andreas Erbs ; Jensen, Lasse ; Mikkelsen, Kurt V. / Elucidating the Mystery of DNA-Templating Effects on a Silver Nanocluster. I: The Journal of Physical Chemistry Letters. 2023 ; Bind 14, Nr. 25. s. 5727-5733.

Bibtex

@article{036e7a0b0f80477e9641c13e4e268291,
title = "Elucidating the Mystery of DNA-Templating Effects on a Silver Nanocluster",
abstract = "This presentation considers the effects that DNA-templating has on the optical properties of a 16-atom silver cluster. To accomplish this, hybrid quantum mechanical and molecular mechanical simulations of a Ag16-DNA complex have been carried out and compared with pure time-dependent density functional theory calculations of two Ag16 clusters in vacuum. The presented results show that the templating DNA polymers both red-shift the one-photon absorption of the silver cluster and increase its intensity. This occurs through a change in cluster shape prompted by the structural constraints of the DNA ligands combined with silver–DNA interactions. The overall charge of the cluster also contributes to the observed optical response, as oxidation of the cluster results in a simultaneous blue-shift of the one-photon absorption and a decrease in intensity. Additionally, the changes in shape and environment also lead to a blue-shift and enhancement of the two-photon absorption.",
author = "Zacharias Liasi and Hillers-bendtsen, {Andreas Erbs} and Lasse Jensen and Mikkelsen, {Kurt V.}",
year = "2023",
doi = "10.1021/acs.jpclett.3c00977",
language = "English",
volume = "14",
pages = "5727--5733",
journal = "Journal of Physical Chemistry Letters",
issn = "1948-7185",
publisher = "American Chemical Society",
number = "25",

}

RIS

TY - JOUR

T1 - Elucidating the Mystery of DNA-Templating Effects on a Silver Nanocluster

AU - Liasi, Zacharias

AU - Hillers-bendtsen, Andreas Erbs

AU - Jensen, Lasse

AU - Mikkelsen, Kurt V.

PY - 2023

Y1 - 2023

N2 - This presentation considers the effects that DNA-templating has on the optical properties of a 16-atom silver cluster. To accomplish this, hybrid quantum mechanical and molecular mechanical simulations of a Ag16-DNA complex have been carried out and compared with pure time-dependent density functional theory calculations of two Ag16 clusters in vacuum. The presented results show that the templating DNA polymers both red-shift the one-photon absorption of the silver cluster and increase its intensity. This occurs through a change in cluster shape prompted by the structural constraints of the DNA ligands combined with silver–DNA interactions. The overall charge of the cluster also contributes to the observed optical response, as oxidation of the cluster results in a simultaneous blue-shift of the one-photon absorption and a decrease in intensity. Additionally, the changes in shape and environment also lead to a blue-shift and enhancement of the two-photon absorption.

AB - This presentation considers the effects that DNA-templating has on the optical properties of a 16-atom silver cluster. To accomplish this, hybrid quantum mechanical and molecular mechanical simulations of a Ag16-DNA complex have been carried out and compared with pure time-dependent density functional theory calculations of two Ag16 clusters in vacuum. The presented results show that the templating DNA polymers both red-shift the one-photon absorption of the silver cluster and increase its intensity. This occurs through a change in cluster shape prompted by the structural constraints of the DNA ligands combined with silver–DNA interactions. The overall charge of the cluster also contributes to the observed optical response, as oxidation of the cluster results in a simultaneous blue-shift of the one-photon absorption and a decrease in intensity. Additionally, the changes in shape and environment also lead to a blue-shift and enhancement of the two-photon absorption.

U2 - 10.1021/acs.jpclett.3c00977

DO - 10.1021/acs.jpclett.3c00977

M3 - Journal article

C2 - 37318362

VL - 14

SP - 5727

EP - 5733

JO - Journal of Physical Chemistry Letters

JF - Journal of Physical Chemistry Letters

SN - 1948-7185

IS - 25

ER -

ID: 358429136