Ag Nanoclusters

Zhu, Manzhou; Zhu, Manzhou

doi:10.1002/9781119788676.ch7

Cited by 3 publications

(1 citation statement)

References 128 publications

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“…Previous theoretical works on bare silver clusters focused on predicting the structure and the corresponding optical absorption spectra [10]. For instance, Harb et al [11] reported optical absorption measurements of small silver neutral clusters, Ag n (n = 4−14) and obtained very similar spectra through time-dependent density functional theory (TD-DFT) computations.…”

Section: Introductionmentioning

confidence: 99%

Structural and optical properties of the Ag _n –tyrosine complexes ( n = 3−12): a density functional theory study

Balan,

Morato-Márquez,

Torres-Torres

et al. 2023

R. Soc. open sci.

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We study the optical properties of Ag n ( n = 3–12) neutral clusters and their coordination with a tyrosine (Tyr) molecule. A global search strategy coupled with density functional theory (DFT) computations explored the potential energy surface. Adsorption energy calculations predicted that Tyr coordination stabilizes the metal clusters, favouring the Ag n −Tyr complexes with an even number of silver atoms. For the Ag n low-lying isomers, the general shape and the major transitions of the calculated time dependent-DFT (TD-DFT) absorption spectra align with those of previous reports measured in an argon environment. We use the analysis of non-covalent interactions to identify the specific interactions between each silver cluster and functional groups of Tyr. The TD-DFT absorption spectra for the Ag n −Tyr complexes showed that Tyr significantly modifies the optical properties of the coordinated silver clusters and affects the smaller systems to a greater extent. The optical absorption results of the bare Ag n clusters and the Ag n −Tyr complexes are compared and discussed in detail.

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Section: Introductionmentioning

confidence: 99%

Structural and optical properties of the Ag _n –tyrosine complexes ( n = 3−12): a density functional theory study

Balan,

Morato-Márquez,

Torres-Torres

et al. 2023

R. Soc. open sci.

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Ag₁₀₈(PEt₃)₂₄Cl₆: A Hexagonal Prismatic Metalloid Cluster

Kordan,

Schrenk,

Schnepf

2024

Chemistry A European J

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The ligands used for the protection of metalloid clusters heavily influence the resulting structure and shape. For silver, thiolate and alkynyl ligands are commonly used, while phosphines usually play a minor role as co‐ligands. Herein, we report the synthesis and structural characterization of Ag108(PEt3)24Cl6 (1), the largest structurally characterized metalloid silver cluster with phosphines and halides as sole ligands. Instead of the frequently observed spherical shape of metalloid clusters, 1’s structure resembles a hexagonal prism. The highly light and temperature sensitive compound features many similarities to its smaller congener Ag64(PnBu3)16Cl6, though there are distinct structural and electronic differences present. Within 1, a Ag64 subunit can be found, which identifies these clusters as molecular seeds for the formation of faceted nanoparticles.

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Incorporation of the ⁹⁹TcO₄^– Anion within the Ag₂₄(C≡C^tBu)₂₀⁴⁺ Cluster Unveiling the Unique Shell-to-Core Charge Transfer

Tao,

Luan,

Yang

et al. 2024

J. Am. Chem. Soc.

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We present the first example of an 99 TcO 4 − anion entrapped within the cavity of a silver cluster, revealing an unprecedented photoinduced charge transfer phenomenon. [Ag 24 (C�C t Bu) 20 ( 99 TcO 4 )]•(BF 4 ) 3 (denoted as 99 TcO 4 − @Ag 24 ) was successfully synthesized and structurally characterized. Single-crystal X-ray diffraction and Raman spectroscopy reveal that the tetrahedral structure of the 99 TcO 4 − anion sustains significant symmetry breaking with weakened Tc−O bond strength under confinement within the Ag 24 (C�C t Bu) 20 4+ cluster. Notably, 99 TcO 4 − @Ag 24 exhibits a broadband electronic absorption spectrum in the visible region, which was absent for the other 99 TcO 4 − -containing compounds. Density functional theory calculations elucidate that host−guest electrostatic interactions result in an electron polarization effect between the 99 TcO 4 − anion core and the Ag 24 cationic shell. The emergence of an absorption band in 99 TcO 4 − @Ag 24 is rationalized by intermolecular charge transfer from the Ag 24 electronic states to the lowest unoccupied molecular orbitals of 99 TcO 4 − instead of the intramolecular electron transition observed in other 99 TcO 4 − -containing compounds.

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Ag Nanoclusters

Cited by 3 publications

References 128 publications

Structural and optical properties of the Ag _n –tyrosine complexes ( n = 3−12): a density functional theory study

Structural and optical properties of the Ag _n –tyrosine complexes ( n = 3−12): a density functional theory study

Ag₁₀₈(PEt₃)₂₄Cl₆: A Hexagonal Prismatic Metalloid Cluster

Incorporation of the ⁹⁹TcO₄^– Anion within the Ag₂₄(C≡C^tBu)₂₀⁴⁺ Cluster Unveiling the Unique Shell-to-Core Charge Transfer

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Ag Nanoclusters

Cited by 3 publications

References 128 publications

Structural and optical properties of the Ag n –tyrosine complexes ( n = 3−12): a density functional theory study

Structural and optical properties of the Ag n –tyrosine complexes ( n = 3−12): a density functional theory study

Ag108(PEt3)24Cl6: A Hexagonal Prismatic Metalloid Cluster

Incorporation of the 99TcO4– Anion within the Ag24(C≡CtBu)204+ Cluster Unveiling the Unique Shell-to-Core Charge Transfer

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Structural and optical properties of the Ag _n –tyrosine complexes ( n = 3−12): a density functional theory study

Structural and optical properties of the Ag _n –tyrosine complexes ( n = 3−12): a density functional theory study

Ag₁₀₈(PEt₃)₂₄Cl₆: A Hexagonal Prismatic Metalloid Cluster

Incorporation of the ⁹⁹TcO₄^– Anion within the Ag₂₄(C≡C^tBu)₂₀⁴⁺ Cluster Unveiling the Unique Shell-to-Core Charge Transfer