scholarly journals Adsorption of Ethylene on Neutral, Anionic, and Cationic Gold Clusters

2010 ◽  
Vol 114 (6) ◽  
pp. 2484-2493 ◽  
Author(s):  
Andrey Lyalin ◽  
Tetsuya Taketsugu
Keyword(s):  
Gold Clusters ◽  
Cationic Gold

Cationic gold clusters ligated with differently substituted phosphines: effect of substitution on ligand reactivity and binding

2015 ◽  
Vol 17 (22) ◽  
pp. 14636-14646 ◽  
Author(s):  
Grant E. Johnson ◽  
Astrid Olivares ◽  
David Hill ◽  
Julia Laskin
Keyword(s):  
Ligand Binding ◽  
Lone Pair ◽  
Gold Clusters ◽  
Binding Energies ◽  
Phosphine Ligands ◽  
Strongly Correlated ◽  
P Loss ◽  
Ligand Reactivity ◽  
Cationic Gold

Loss of substituted phosphine ligands is strongly correlated with the electron donating ability of the phosphorous lone pair. The results indicate that the relative ligand binding energies increase in the order PMe3 < PPhMe2 < PPh2Me < PPh3 < PPh2Cy < PPhCy2 < PCy3.

Exploring the low-lying structures of Aun(CO)+ (n = 1–10): adsorption and stretching frequencies of CO on various coordination sites

RSC Advances ◽  
2016 ◽  
Vol 6 (10) ◽  
pp. 8248-8255 ◽  
Author(s):  
Jie Wang ◽  
Qing-Bo Yan ◽  
Jun Ma ◽  
Xizi Cao ◽  
Xiaopeng Xing ◽  
...  
Keyword(s):  
Gold Clusters ◽  
Adsorption Site ◽  
P Adsorption ◽  
Coordination Sites ◽  
Structural Details ◽  
Adsorption Of Co ◽  
Cationic Gold

Adsorption of CO on cationic gold clusters is insensitive to the structural details of the adsorption site.

Aggregation-Mode-Dependent Optical Properties of Cationic Gold Clusters: Formation of Ordered Assemblies in Solution and Unique Optical Responses

2020 ◽  
Vol 124 (29) ◽  
pp. 16209-16215
Author(s):  
Mizuho Sugiuchi ◽  
Mingzhe Zhang ◽  
Yusaku Hakoishi ◽  
Yukatsu Shichibu ◽  
Noriko Nishizawa Horimoto ◽  
...  
Keyword(s):  
Optical Properties ◽  
Gold Clusters ◽  
Optical Responses ◽  
Cationic Gold

Methanol C–O Bond Activation by Free Gold Clusters Probed via Infrared Photodissociation Spectroscopy

2019 ◽  
Vol 233 (6) ◽  
pp. 865-880 ◽  
Author(s):  
Sandra M. Lang ◽  
Thorsten M. Bernhardt ◽  
Joost M. Bakker ◽  
Bokwon Yoon ◽  
Uzi Landman
Keyword(s):  
Density Functional ◽  
Bond Activation ◽  
Spectral Shift ◽  
Gold Clusters ◽  
Size Number ◽  
Free Gold ◽  
Theoretical Investigations ◽  
Multiphoton Dissociation ◽  
Stretch Mode ◽  
Cationic Gold

Abstract The activation of methanol (CD3OD and CD3OH) by small cationic gold clusters has been investigated via infrared multiphoton dissociation (IR-MPD) spectroscopy in the 615–1760 cm−1 frequency range. The C–O stretch mode around 925 cm−1 and a coupled CD3 deformation/C–O stretch mode around 1085 cm−1 are identified to be sensitive to the interaction between methanol and the gold clusters, whereas all other modes in the investigated spectral region remain unaffected. Based on the spectral shift of these modes, the largest C–O bond activation is observed for the mono-gold Au(CD3OD)+ cluster. This activation decreases with increasing the cluster size (number of gold atoms) and the number of adsorbed methanol molecules. Supporting density functional theory (DFT) calculations reveal that the C–O bond activation is caused by a methanol to gold charge donation, whereas the C–D and O–D bonds are not significantly activated by this process. The results are discussed with respect to previous experimental and theoretical investigations of neutral and cationic gold-methanol complexes focusing on the C–O stretch mode.

CO Oxidation on Cationic Gold Clusters: A Theoretical Study

2008 ◽  
Vol 112 (46) ◽  
pp. 18061-18066 ◽  
Author(s):  
Antonio Prestianni ◽  
Antonino Martorana ◽  
Ilaria Ciofini ◽  
Frédéric Labat ◽  
Carlo Adamo
Keyword(s):  
Co Oxidation ◽  
Theoretical Study ◽  
Gold Clusters ◽  
Cationic Gold

The structures of cationic gold clusters probed by far-infrared spectroscopy

2020 ◽  
Vol 22 (20) ◽  
pp. 11572-11577 ◽  
Author(s):  
Piero Ferrari ◽  
Gao-Lei Hou ◽  
Olga V. Lushchikova ◽  
Florent Calvo ◽  
Joost M. Bakker ◽  
...  
Keyword(s):  
Density Functional Theory ◽  
Infrared Spectroscopy ◽  
Density Functional ◽  
Density Functional Theory Calculations ◽  
Far Infrared ◽  
Gold Clusters ◽  
Far Infrared Spectroscopy ◽  
Functional Theory ◽  
Infrared Multiple Photon Dissociation ◽  
Cationic Gold

Far-infrared multiple photon dissociation spectroscopy is used in combination with density functional theory calculations to determine the structures of isolated Aun+ (n ≤ 9) clusters.

scholarly journals Nonlocal effects on the structural transition of gold clusters from planar to three-dimensional geometries

RSC Advances ◽  
2019 ◽  
Vol 9 (36) ◽  
pp. 20989-20999 ◽  
Author(s):  
Ping Wu ◽  
Qingxiu Liu ◽  
Gang Chen
Keyword(s):  
Structural Transition ◽  
Three Dimensional ◽  
Gold Clusters ◽  
Structural Transitions ◽  
Nonlocal Effects ◽  
Cationic Gold

Nonlocal effects may be important for determining the 2D–3D structural transitions of anionic, neutral, and cationic gold clusters.

How cationic gold clusters respond to a single sulfur atom

2007 ◽  
Vol 127 (22) ◽  
pp. 224708 ◽  
Author(s):  
Hagos Woldeghebriel ◽  
Anjali Kshirsagar
Keyword(s):  
Sulfur Atom ◽  
Gold Clusters ◽  
Cationic Gold

The adsorption of helium atoms on small cationic gold clusters

2018 ◽  
Vol 20 (14) ◽  
pp. 9554-9560 ◽  
Author(s):  
Marcelo Goulart ◽  
Michael Gatchell ◽  
Lorenz Kranabetter ◽  
Martin Kuhn ◽  
Paul Martini ◽  
...  
Keyword(s):  
Gold Cluster ◽  
Gold Clusters ◽  
Cluster Ions ◽  
Helium Atoms ◽  
Ion Structure ◽  
Cluster Ion ◽  
Cationic Gold

Adducts between gold cluster ions and helium atoms reveal the underlying cluster ion structure.

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