Method-Induced Isomerism and Concentration Mediated Isolation of Two (Cu14 and Cu41) Atomically Precise Copper Nanoclusters

Abdul Mannan Butt; Abhijit Nag; Praveen B. Managutti; Sharmarke Mohamed; Faisal AlMarzooqi; Ahsanulhaq Qurashi

doi:10.1002/cmtd.202400031

Method-Induced Isomerism and Concentration Mediated Isolation of Two (Cu₁₄ and Cu₄₁) Atomically Precise Copper Nanoclusters

Abdul Mannan Butt, Abhijit Nag, Praveen B. Managutti, Sharmarke Mohamed, Faisal AlMarzooqi, Ahsanulhaq Qurashi

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

1 Scopus citations

Abstract

Ligand-protected atomically precise metal nanoclusters (MNCs) have attracted peculiar interest not only for their distinct molecular structure but also for their unique physiochemical properties, providing an ideal platform for developing structure-activity correlation at the atomic level. In this work, we have presented the isolation of two nanoclusters (NCs) [Cu₁₄H₁₀(DMBT)₃(PPh₃)₈][BF₄] (Cu₁₄) and [Cu₄₁H₂₁Cl₈(DMBT)₁₂(PPh₃)₆] (Cu₄₁) [DMBT=2,4-dimethylbenzenethiol and PPh₃=Triphenylphosphine] upon manipulating the concentration of thiol ligand. A correlation between thiolate ligand's concentration and product selectivity was noticed. Further, the presence of R and S isomerism was observed in Cu₁₄ unit cell. Single Crystal X-ray Diffraction (SC-XRD) data revealed that Cu₁₄ crystallized in the cubic space group Pa-3, while Cu₄₁ in hexagonal space group P6₃/m. The crystal structure of Cu₁₄ and Cu₄₁ NCs were supported using high resolution electrospray mass spectrometry (ESI MS) and other spectroscopic approaches. We believe this study will serve as a guide for controllable synthesis of MNCs.

Original language	British English
Article number	e202400031
Journal	Chemistry-Methods
Volume	5
Issue number	4
DOIs	https://doi.org/10.1002/cmtd.202400031
State	Published - Apr 2025

Keywords

characterization
Separation of nanoclusters
SYnthesis of Cu14 and 41 Nanoclusters

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title = "Method-Induced Isomerism and Concentration Mediated Isolation of Two (Cu14 and Cu41) Atomically Precise Copper Nanoclusters",

abstract = "Ligand-protected atomically precise metal nanoclusters (MNCs) have attracted peculiar interest not only for their distinct molecular structure but also for their unique physiochemical properties, providing an ideal platform for developing structure-activity correlation at the atomic level. In this work, we have presented the isolation of two nanoclusters (NCs) [Cu14H10(DMBT)3(PPh3)8][BF4] (Cu14) and [Cu41H21Cl8(DMBT)12(PPh3)6] (Cu41) [DMBT=2,4-dimethylbenzenethiol and PPh3=Triphenylphosphine] upon manipulating the concentration of thiol ligand. A correlation between thiolate ligand's concentration and product selectivity was noticed. Further, the presence of R and S isomerism was observed in Cu14 unit cell. Single Crystal X-ray Diffraction (SC-XRD) data revealed that Cu14 crystallized in the cubic space group Pa-3, while Cu41 in hexagonal space group P63/m. The crystal structure of Cu14 and Cu41 NCs were supported using high resolution electrospray mass spectrometry (ESI MS) and other spectroscopic approaches. We believe this study will serve as a guide for controllable synthesis of MNCs.",

keywords = "characterization, Separation of nanoclusters, SYnthesis of Cu14 and 41 Nanoclusters",

author = "{Mannan Butt}, Abdul and Abhijit Nag and Managutti, {Praveen B.} and Sharmarke Mohamed and Faisal AlMarzooqi and Ahsanulhaq Qurashi",

note = "Publisher Copyright: {\textcopyright} 2024 The Author(s). Chemistry - Methods published by Chemistry Europe and Wiley-VCH GmbH.",

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AU - Mannan Butt, Abdul

AU - Nag, Abhijit

AU - Managutti, Praveen B.

AU - Mohamed, Sharmarke

AU - AlMarzooqi, Faisal

AU - Qurashi, Ahsanulhaq

PY - 2025/4

Y1 - 2025/4

N2 - Ligand-protected atomically precise metal nanoclusters (MNCs) have attracted peculiar interest not only for their distinct molecular structure but also for their unique physiochemical properties, providing an ideal platform for developing structure-activity correlation at the atomic level. In this work, we have presented the isolation of two nanoclusters (NCs) [Cu14H10(DMBT)3(PPh3)8][BF4] (Cu14) and [Cu41H21Cl8(DMBT)12(PPh3)6] (Cu41) [DMBT=2,4-dimethylbenzenethiol and PPh3=Triphenylphosphine] upon manipulating the concentration of thiol ligand. A correlation between thiolate ligand's concentration and product selectivity was noticed. Further, the presence of R and S isomerism was observed in Cu14 unit cell. Single Crystal X-ray Diffraction (SC-XRD) data revealed that Cu14 crystallized in the cubic space group Pa-3, while Cu41 in hexagonal space group P63/m. The crystal structure of Cu14 and Cu41 NCs were supported using high resolution electrospray mass spectrometry (ESI MS) and other spectroscopic approaches. We believe this study will serve as a guide for controllable synthesis of MNCs.

AB - Ligand-protected atomically precise metal nanoclusters (MNCs) have attracted peculiar interest not only for their distinct molecular structure but also for their unique physiochemical properties, providing an ideal platform for developing structure-activity correlation at the atomic level. In this work, we have presented the isolation of two nanoclusters (NCs) [Cu14H10(DMBT)3(PPh3)8][BF4] (Cu14) and [Cu41H21Cl8(DMBT)12(PPh3)6] (Cu41) [DMBT=2,4-dimethylbenzenethiol and PPh3=Triphenylphosphine] upon manipulating the concentration of thiol ligand. A correlation between thiolate ligand's concentration and product selectivity was noticed. Further, the presence of R and S isomerism was observed in Cu14 unit cell. Single Crystal X-ray Diffraction (SC-XRD) data revealed that Cu14 crystallized in the cubic space group Pa-3, while Cu41 in hexagonal space group P63/m. The crystal structure of Cu14 and Cu41 NCs were supported using high resolution electrospray mass spectrometry (ESI MS) and other spectroscopic approaches. We believe this study will serve as a guide for controllable synthesis of MNCs.

KW - characterization

KW - Separation of nanoclusters

KW - SYnthesis of Cu14 and 41 Nanoclusters

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DO - 10.1002/cmtd.202400031

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ER -

Method-Induced Isomerism and Concentration Mediated Isolation of Two (Cu₁₄ and Cu₄₁) Atomically Precise Copper Nanoclusters

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Keywords

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