Principles of Optical Spectroscopy of Aromatic Alloy Nanomolecules: Au36–xAgx(SPh-tBu)24

Theivendran, Shevanuja; Chang, Le; Mukherjee, Aneek; Sementa, Luca; Stener, Mauro; Fortunelli, Alessandro; Dass, Amala

doi:10.1021/acs.jpcc.8b00556

Cited by 29 publications

(51 citation statements)

References 58 publications

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“…As demonstrated in Ref. [131]., the positive and negative components of the ICM-OS plots allow one to clarify both the nature of the excited state and also the relative sign of the contribution of the dipole versus density matrix elements on the oscillator strength, and thus to single out destructive interference effects. In an entirely analogous way, we can define ICM-RS plots as analysis tools of chiro-optical linear response spectra derived from TDDFT.…”

Section: Individual Component Maps Of Rotatory Strength (Icm-rs) Analmentioning

confidence: 88%

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Chirality in bare and ligand-protected metal nanoclusters

Pelayo

Valencia

García

et al. 2018

Advances in Physics: X

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Chirality is a fundamental property of matter with profound impact in physics, chemistry, biology, and medicine. It is present at several scales going from elementary particles, to molecules, to macroscopic materials, and even to astronomical objects. During the last 30 years, chirality has also been investigated at the nanoscale, being a hot research topic in nanoscience. The importance of chirality at the nanoscale is due, in part, to the potential applications that chiral nanomaterials could have in nanotechnology. Great interest exists nowadays in the study of chirality in bare and ligand-protected metal nanoclusters. These are aggregates of n metal atoms (n~10-300) that can be in gas phase or stabilized by organic ligands, covering the cluster surface. Chirality in bare and thiolate-protected gold clusters (TPGC) has received special attention because of the important progress achieved in their synthesis, size separation, and precise structural characterization. Here, we review the recent experimental and theoretical developments on the origin and physicochemical manifestations of chirality in bare and TPGC. Since chirality is a geometrical property, we also discuss the proposal for its quantification, and the correlation of this geometric measure with the chiroptical response, like the circular dichroism spectrum, calculated from quantum mechanical methods.

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Section: Individual Component Maps Of Rotatory Strength (Icm-rs) Analmentioning

confidence: 88%

“…Recently, an analysis tool of the absorption spectra derived from TDDFT simulation has been proposed, i.e. individual component maps of oscillatory strength (ICM-OS) plots [131], which allows one to investigate the connection between absorption and single-particle excitations (ICM-OS).…”

Section: Individual Component Maps Of Rotatory Strength (Icm-rs) Analmentioning

confidence: 99%

Chirality in bare and ligand-protected metal nanoclusters

Pelayo

Valencia

García

et al. 2018

Advances in Physics: X

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“…Thus, the electronic transition and electronic structure of metal NCs are important factors for the luminescence of NCs. As reported by many previous literatures, the synergistic effect between Au atoms and Ag atoms in the Au/Ag alloy NCs would affect the electronic structure of NCs and thereby the emission wavelength of Au/Ag NCs (Negishi et al, 2010 ; Ganguly et al, 2016 ; Soldan et al, 2016 ; Theivendran et al, 2018 ). The blue-shift of emission of Au/Ag NCs after aggregating illustrated that the aggregation may not only influence the vibration and rotation of ligand molecules but also the synergistic interaction between different metal atoms, further changing the electron relaxation process in alloy NCs.…”

Section: Resultsmentioning

confidence: 79%

Aggregation-Induced Emission of Au/Ag Alloy Nanoclusters for Fluorescence Detection of Inorganic Pyrophosphate and Pyrophosphatase Activity

Lei

Zhou

Liang

et al. 2021

Front. Bioeng. Biotechnol.

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The development of sensitive and accurate detection of inorganic pyrophosphate (PPi) and pyrophosphatase activity (PPase) is important as they play vital roles in biological systems. However, it is still not satisfactory for most of the analytical methods for PPi and PPase because of their Cu2+-dependence and poor accuracy. Although the metal ion triggered aggregation-induced emission (AIE) of metal nanoclusters (NCs) offers a new approach to design a Cu2+-free strategy for the accurate determination of PPi and PPase recently, current methods are all focused on utilizing pure metal NCs. Alloy NCs incorporating the advantages of diverse metal usually can achieve improved behaviors in the application, such as enhanced sensitivity and stability. In this work, glutathione stabilized alloy Au/Ag NCs were synthesized via a simple method and used for the fluorescence detection of PPi and PPase based on a Zn2+-regulated AIE strategy. The controlled release of Zn2+ by PPi and PPase could regulate the AIE of Au/Ag NCs and be employed to response PPi concentration and PPase activity. This method processes simple procedure, high sensitivity and stability, and low toxicity. In addition, we also studied the AIE behaviors of this Au/Ag NCs and offer some fundamental understanding of the AIE properties of water-soluble alloy NCs. This study not only provides a straightforward and new approach for PPi and PPase determination but a basis for further study on the AIE properties of alloy NCs and their application.

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“…Recently, an analysis tool of the absorption spectra derived from TDDFT simulation has been proposed [ 35 ], i.e., individual component maps of oscillatory strength (ICM-OS) plots, which allows one to investigate the connection between absorption and single-particle excitations (ICM-OS). This field is subject to intense research efforts, and there are currently many efforts to find a proper method to rationalize CD (or in general spectral features) obtained from response calculations [ 36 ].…”

Section: Appendix A1 the Complex Polarizability Methodsmentioning

confidence: 99%

Plasmonic Circular Dichroism in Chiral Gold Nanowire Dimers

et al. 2021

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We report a computational study at the time-dependent density functional theory (TDDFT) level of the chiro-optical spectra of chiral gold nanowires coupled in dimers. Our goal is to explore whether it is possible to overcome destructive interference in single nanowires that damp chiral response in these systems and to achieve intense plasmonic circular dichroism (CD) through a coupling between the nanostructures. We predict a huge enhancement of circular dichroism at the plasmon resonance when two chiral nanowires are intimately coupled in an achiral relative arrangement. Such an effect is even more pronounced when two chiral nanowires are coupled in a chiral relative arrangement. Individual component maps of rotator strength, partial contributions according to the magnetic dipole component, and induced densities allow us to fully rationalize these findings, thus opening the way to the field of plasmonic CD and its rational design.

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Principles of Optical Spectroscopy of Aromatic Alloy Nanomolecules: Au_36–xAg_x(SPh-tBu)₂₄

Cited by 29 publications

References 58 publications

Chirality in bare and ligand-protected metal nanoclusters

Chirality in bare and ligand-protected metal nanoclusters

Aggregation-Induced Emission of Au/Ag Alloy Nanoclusters for Fluorescence Detection of Inorganic Pyrophosphate and Pyrophosphatase Activity

Plasmonic Circular Dichroism in Chiral Gold Nanowire Dimers

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