A1 Journal article (refereed)
Ag44(EBT)26(TPP)4 Nanoclusters with Tailored Molecular and Electronic Structure (2021)


Hyeon, T., Bootharaju, M. S., Lee, S., Deng, G., Malola, S., Baek, W., Häkkinen, H., & Zheng, N. (2021). Ag44(EBT)26(TPP)4 Nanoclusters with Tailored Molecular and Electronic Structure. Angewandte Chemie, 60(16), 9038-9044. https://doi.org/10.1002/anie.202015907


JYU authors or editors


Publication details

All authors or editorsHyeon, Taeghwan; Bootharaju, Megalamane S.; Lee, Sanghwa; Deng, Guocheng; Malola, Sami; Baek, Woonhyuk; Häkkinen, Hannu; Zheng, Nanfeng

Journal or seriesAngewandte Chemie

ISSN1433-7851

eISSN1521-3773

Publication year2021

Publication date28/12/2020

Volume60

Issue number16

Pages range9038-9044

PublisherWiley-VCH Verlag

Publication countryGermany

Publication languageEnglish

DOIhttps://doi.org/10.1002/anie.202015907

Publication open accessNot open

Publication channel open access

Publication is parallel published (JYX)https://jyx.jyu.fi/handle/123456789/73918


Abstract

Although atomically precise metalloid nanoclusters (NCs) of identical size with distinctly different molecular structures are highly desirable to understand the structural effects on the intriguing optical and photophysical properties, their synthesis remains highly challenging. Herein, we employed phosphine and thiol capping ligands featuring appropriate steric effects and synthesized a charge‐neutral Ag NC with the formula, Ag 44 (EBT) 26 (TPP) 4 (EBT: 2‐ethylbenzenethiolate; TPP: triphenylphosphine). The single‐crystal X‐ray structure reveals that this NC has a hollow metal core of Ag 12 @Ag 20 and a metal‐ligand shell of Ag 12 (EBT) 26 (TPP) 4 . The presence of mixed ligands and long V‐shaped metal‐ligand motifs on this NC has resulted in the enhancement of NIR‐II photoluminescence quantum yield by >25‐folds compared to an all‐thiolate‐stabilized anionic [Ag 44 (SR) 30 ] 4― NC (SR: thiolate). Time‐dependent density functional calculations show that our Ag 44 NC is an 18‐electron superatom with a modulated electronic structure as compared to the [Ag 44 (SR) 30 ] 4― anion, significantly influencing its optical properties.


Keywordsnanoparticlesclusterssilver

Free keywordssilver; nanoclusters; single crystal X-ray structure; NIR-II photoluminescence; superatom


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Ministry reportingYes

Reporting Year2021

JUFO rating3


Last updated on 2024-10-03 at 20:06