Electronic and geometric structure, optical properties, and excited state behavior in atomically precise thiolate-stabilized noble metal nanoclusters
CM Aikens - Accounts of Chemical Research, 2018 - ACS Publications
Conspectus Ligand-protected noble metal nanoclusters are of interest for their potential
applications in areas such as bioimaging, catalysis, photocatalysis, and solar energy …
applications in areas such as bioimaging, catalysis, photocatalysis, and solar energy …
Reversible assembly of nanoparticles: theory, strategies and computational simulations
The significant advances in synthesis and functionalization have enabled the preparation of
high-quality nanoparticles that have found a plethora of successful applications. The unique …
high-quality nanoparticles that have found a plethora of successful applications. The unique …
Tri-icosahedral Gold Nanocluster [Au37(PPh3)10(SC2H4Ph)10X2]+: Linear Assembly of Icosahedral Building Blocks
The [Au37 (PPh3) 10 (SR) 10X2]+ nanocluster (where SR= thiolate and X= Cl/Br) was
theoretically predicted in 2007, but since then, there has been no experimental success in …
theoretically predicted in 2007, but since then, there has been no experimental success in …
Benchmarking TD-DFT against vibrationally resolved absorption spectra at room temperature: 7-aminocoumarins as test cases
F Muniz-Miranda, A Pedone, G Battistelli… - Journal of chemical …, 2015 - ACS Publications
Time-dependent density functional theory (TD-DFT) is usually benchmarked by evaluating
how the vertical excitation energies computed by using different exchange-correlation (XC) …
how the vertical excitation energies computed by using different exchange-correlation (XC) …
Understanding and designing the gold–bio interface: Insights from simulations
Gold nanoparticles (AuNPs) are an integral part of many exciting and novel biomedical
applications, sparking the urgent need for a thorough understanding of the physicochemical …
applications, sparking the urgent need for a thorough understanding of the physicochemical …
Linear and nonlinear optical properties of monolayer-protected gold nanocluster films
R Ho-Wu, SH Yau, T Goodson III - ACS nano, 2016 - ACS Publications
Gold nanoclusters have been extensively studied in solution for their unique optical
properties. However, many applications of nanoclusters involve the use of the material in the …
properties. However, many applications of nanoclusters involve the use of the material in the …
Potential of N-heterocyclic carbene derivatives from Au 13 (dppe) 5 Cl 2 gold superatoms. Evaluation of electronic, optical and chiroptical properties from relativistic …
A Muñoz-Castro - Inorganic Chemistry Frontiers, 2019 - pubs.rsc.org
Atomically precise gold superatoms offer useful templates to evaluate tunable properties via
ligand engineering. Herein, the role of different linked N-heterocyclic carbene (NHC) …
ligand engineering. Herein, the role of different linked N-heterocyclic carbene (NHC) …
Ligand-protected gold clusters: the structure, synthesis and applications
DA Pichugina, NE Kuz'menko… - Russian Chemical …, 2015 - iopscience.iop.org
Modern concepts of the structure and properties of atomic gold clusters protected by thiolate,
selenolate, phosphine and phenylacetylene ligands are analyzed. Within the framework of …
selenolate, phosphine and phenylacetylene ligands are analyzed. Within the framework of …
Crystal Structures of Two New Gold–Copper Bimetallic Nanoclusters: Cu x Au25–x (PPh3) 10 (PhC2H4S) 5Cl22+ and Cu3Au34 (PPh3) 13 (tBuPhCH2S) 6S23+
S Yang, J Chai, T Chen, B Rao, Y Pan, H Yu… - Inorganic …, 2017 - ACS Publications
Herein, we report the synthesis and atomic structures of the cluster-assembled Cu x Au25–x
(PPh3) 10 (PhCH2CH2S) 5Cl22+ and Cu3Au34 (PPh3) 13 (tBuPhCH2S) 6S23+ …
(PPh3) 10 (PhCH2CH2S) 5Cl22+ and Cu3Au34 (PPh3) 13 (tBuPhCH2S) 6S23+ …
Computational approaches to homogeneous gold catalysis
ON Faza, CS López - Homogeneous gold catalysis, 2015 - Springer
Homogenous gold catalysis has been exploding for the last decade at an outstanding pace.
The best described reactivity of Au (I) and Au (III) species is based on gold's properties as a …
The best described reactivity of Au (I) and Au (III) species is based on gold's properties as a …