Synthesis and crystallization of a carboxylate functionalized N-heterocyclic carbene-based Au13 cluster with strong photo-luminescence

Xiting Yuan; Zichen Ye; Sami Malola; Osama Shekhah; Hao Jiang; Xinyan Hu; Jian Xin Wang; Hong Wang; Aleksander Shkurenko; Jiangtao Jia; Vincent Guillerm; Omar F. Mohammed; Xiaolan Chen; Nanfeng Zheng; Hannu Hkkinen; Mohamed Eddaoudi

doi:10.1039/d4sc04594g

Synthesis and crystallization of a carboxylate functionalized N-heterocyclic carbene-based Au₁₃ cluster with strong photo-luminescence

Xiting Yuan, Zichen Ye, Sami Malola, Osama Shekhah, Hao Jiang, Xinyan Hu, Jian Xin Wang, Hong Wang, Aleksander Shkurenko, Jiangtao Jia, Vincent Guillerm, Omar F. Mohammed, Xiaolan Chen, Nanfeng Zheng, Hannu Hkkinen, Mohamed Eddaoudi^*

^*Corresponding author for this work

Research output: Contribution to journal › Article › peer-review

4 Scopus citations

Abstract

Here we report the synthesis and crystallization of a -COOH-capped N-heterocyclic carbene (NHC)-protected Au₁₃ cluster. The single-crystal structure of the -COOH-capped NHC-Au₁₃ cluster reveals a classic icosahedral core with one Au atom in its center. The icosahedral core is surrounded by five NHC ligands with pseudo C5 symmetry and exposed carboxyls in a pentagonal antiprism fashion. The detailed formula of the Au cluster was identified as Au₁₃(bi-NHC carboxyl)₅Cl₂ (hereafter abbreviated as Au13-c). The density functional theory (DFT) calculations confirm that Au13-c is an electronically stable eight-electron super-atom cluster and elucidate its optical transitions in the UV-Vis range. The Au13-c cluster exhibits excellent thermal and chemical stability under bio-relevant conditions. Additionally, this cluster shows a strong red emission in DMF and H₂O with an excellent quantum yield (QY) of 40% and 12.6%, respectively. The high QY of Au13-c enables its use in cell imaging on both cancer and noncancerous cells.

Original language	English (US)
Pages (from-to)	16112-16117
Number of pages	6
Journal	Chemical Science
Volume	15
Issue number	39
DOIs	https://doi.org/10.1039/d4sc04594g
State	Published - Sep 13 2024

Bibliographical note

Publisher Copyright:
© 2024 The Royal Society of Chemistry.

ASJC Scopus subject areas

General Chemistry

UN SDGs

This output contributes to the following UN Sustainable Development Goals (SDGs)

Access to Document

10.1039/d4sc04594g

Cite this

Yuan, X., Ye, Z., Malola, S., Shekhah, O., Jiang, H., Hu, X., Wang, J. X., Wang, H., Shkurenko, A., Jia, J., Guillerm, V., Mohammed, O. F., Chen, X., Zheng, N., Hkkinen, H., & Eddaoudi, M. (2024). Synthesis and crystallization of a carboxylate functionalized N-heterocyclic carbene-based Au₁₃ cluster with strong photo-luminescence. Chemical Science, 15(39), 16112-16117. https://doi.org/10.1039/d4sc04594g

@article{ecf7ff4b230240a09f7696f138cf4ea6,

title = "Synthesis and crystallization of a carboxylate functionalized N-heterocyclic carbene-based Au13 cluster with strong photo-luminescence",

abstract = "Here we report the synthesis and crystallization of a -COOH-capped N-heterocyclic carbene (NHC)-protected Au13 cluster. The single-crystal structure of the -COOH-capped NHC-Au13 cluster reveals a classic icosahedral core with one Au atom in its center. The icosahedral core is surrounded by five NHC ligands with pseudo C5 symmetry and exposed carboxyls in a pentagonal antiprism fashion. The detailed formula of the Au cluster was identified as Au13(bi-NHC carboxyl)5Cl2 (hereafter abbreviated as Au13-c). The density functional theory (DFT) calculations confirm that Au13-c is an electronically stable eight-electron super-atom cluster and elucidate its optical transitions in the UV-Vis range. The Au13-c cluster exhibits excellent thermal and chemical stability under bio-relevant conditions. Additionally, this cluster shows a strong red emission in DMF and H2O with an excellent quantum yield (QY) of 40\% and 12.6\%, respectively. The high QY of Au13-c enables its use in cell imaging on both cancer and noncancerous cells.",

author = "Xiting Yuan and Zichen Ye and Sami Malola and Osama Shekhah and Hao Jiang and Xinyan Hu and Wang, \{Jian Xin\} and Hong Wang and Aleksander Shkurenko and Jiangtao Jia and Vincent Guillerm and Mohammed, \{Omar F.\} and Xiaolan Chen and Nanfeng Zheng and Hannu Hkkinen and Mohamed Eddaoudi",

note = "Publisher Copyright: {\textcopyright} 2024 The Royal Society of Chemistry.",

year = "2024",

month = sep,

day = "13",

doi = "10.1039/d4sc04594g",

language = "English (US)",

volume = "15",

pages = "16112--16117",

journal = "Chemical Science",

issn = "2041-6520",

publisher = "Royal Society of Chemistry",

number = "39",

}

Yuan, X, Ye, Z, Malola, S, Shekhah, O , Jiang, H, Hu, X, Wang, JX, Wang, H, Shkurenko, A, Jia, J, Guillerm, V , Mohammed, OF, Chen, X, Zheng, N, Hkkinen, H & Eddaoudi, M 2024, 'Synthesis and crystallization of a carboxylate functionalized N-heterocyclic carbene-based Au₁₃ cluster with strong photo-luminescence', Chemical Science, vol. 15, no. 39, pp. 16112-16117. https://doi.org/10.1039/d4sc04594g

TY - JOUR

T1 - Synthesis and crystallization of a carboxylate functionalized N-heterocyclic carbene-based Au13 cluster with strong photo-luminescence

AU - Yuan, Xiting

AU - Ye, Zichen

AU - Malola, Sami

AU - Shekhah, Osama

AU - Jiang, Hao

AU - Hu, Xinyan

AU - Wang, Jian Xin

AU - Wang, Hong

AU - Shkurenko, Aleksander

AU - Jia, Jiangtao

AU - Guillerm, Vincent

AU - Mohammed, Omar F.

AU - Chen, Xiaolan

AU - Zheng, Nanfeng

AU - Hkkinen, Hannu

AU - Eddaoudi, Mohamed

PY - 2024/9/13

Y1 - 2024/9/13

N2 - Here we report the synthesis and crystallization of a -COOH-capped N-heterocyclic carbene (NHC)-protected Au13 cluster. The single-crystal structure of the -COOH-capped NHC-Au13 cluster reveals a classic icosahedral core with one Au atom in its center. The icosahedral core is surrounded by five NHC ligands with pseudo C5 symmetry and exposed carboxyls in a pentagonal antiprism fashion. The detailed formula of the Au cluster was identified as Au13(bi-NHC carboxyl)5Cl2 (hereafter abbreviated as Au13-c). The density functional theory (DFT) calculations confirm that Au13-c is an electronically stable eight-electron super-atom cluster and elucidate its optical transitions in the UV-Vis range. The Au13-c cluster exhibits excellent thermal and chemical stability under bio-relevant conditions. Additionally, this cluster shows a strong red emission in DMF and H2O with an excellent quantum yield (QY) of 40% and 12.6%, respectively. The high QY of Au13-c enables its use in cell imaging on both cancer and noncancerous cells.

AB - Here we report the synthesis and crystallization of a -COOH-capped N-heterocyclic carbene (NHC)-protected Au13 cluster. The single-crystal structure of the -COOH-capped NHC-Au13 cluster reveals a classic icosahedral core with one Au atom in its center. The icosahedral core is surrounded by five NHC ligands with pseudo C5 symmetry and exposed carboxyls in a pentagonal antiprism fashion. The detailed formula of the Au cluster was identified as Au13(bi-NHC carboxyl)5Cl2 (hereafter abbreviated as Au13-c). The density functional theory (DFT) calculations confirm that Au13-c is an electronically stable eight-electron super-atom cluster and elucidate its optical transitions in the UV-Vis range. The Au13-c cluster exhibits excellent thermal and chemical stability under bio-relevant conditions. Additionally, this cluster shows a strong red emission in DMF and H2O with an excellent quantum yield (QY) of 40% and 12.6%, respectively. The high QY of Au13-c enables its use in cell imaging on both cancer and noncancerous cells.

UR - http://www.scopus.com/inward/record.url?scp=85204396836&partnerID=8YFLogxK

U2 - 10.1039/d4sc04594g

DO - 10.1039/d4sc04594g

M3 - Article

AN - SCOPUS:85204396836

SN - 2041-6520

VL - 15

SP - 16112

EP - 16117

JO - Chemical Science

JF - Chemical Science

IS - 39

ER -