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RESEARCH PAPER · Chemical Science · 2015

Jahn–Teller effects in Au 25 (SR) 18

Marcus A. Tofanelli, Kirsi Salorinne, Thomas W. Ni, Sami Malola, Brooke Newell, Billy D. Phillips, Hannu Häkkinen, Christopher J. Ackerson

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Jahn–Teller effects in Au 25 (SR) 18OriginalGeometric Quantification of Chirality in Ligand-Protected Metal Clusters84A magnetic look into the protecting layer of Au 25 clusters40Structures and magnetism of mono-palladium and mono-platinum doped Au 25 (PET) 18 nanoclusters136Crystal Structure of the PdAu24(SR)180Superatom117Selective and High‐Yield Synthesis of Oblate Superatom [PdAu8(PPh3)8]2+22Theoretical Insights into the Origin of Photoluminescence of Au25(SR)18– Nanoparticles249Atomically Precise Colloidal Metal Nanoclusters and Nanoparticles: Fundamentals and Opportunities3459Two Electron Reduction: From Quantum Dots to Metal Nanoclusters43Vibrational Coupling Modulation in n-Alkanethiolate Protected Au25(SR)180 Clusters24Reactivity of Metal Clusters515A grand unified model for liganded gold clusters210Anion photoelectron spectroscopy of free [Au 25 (SC 12 H 25 ) 18 ] −44Practical stability of Au 25 (SR) 18 −1/0/+111Relativistic DFT investigation of electronic structure effects arising from doping the Au 25 nanocluster with transition metals39The reactivity of phenylethanethiolated gold nanoparticles with acetic acid17Dissociation of Gas Phase Ions of Atomically Precise Silver Clusters Reflects Their Solution Phase Stability60Oxidation-Induced Transformation of Eight-Electron Gold Nanoclusters: [Au23(SR)16]− to [Au28(SR)20]058A gold superatom with 10 electrons in Au13(PPh3)8(p-SC6H4CO2H)312[Pt17(CO)12(PPh3)8]n+ (n = 1, 2): Synthesis and Geometric and Electronic Structures40Electrocrystallization of Monolayer-Protected Gold Clusters: Opening the Door to Quality, Quantity, and New Structures86Crystal and Solution Photoluminescence of MAg24(SR)18 (M = Ag/Pd/Pt/Au) Nanoclusters and Some Implications for the Photoluminescence Mechanisms162Magnetic Ordering in Gold Nanoclusters91Shuttling single metal atom into and out of a metal nanoparticle110Resonance Enhancement of Nonlinear Optical Scattering in Monolayer-Protected Gold Clusters28Gold‐Doping of Double‐Crown Pd Nanoclusters33Chirality in Ligand-Stabilized Metal Clusters5Au 25 (SR) 18 : the captain of the great nanocluster ship372Is the kernel–staples match a key–lock match?69Ligand mediated evolution of size dependent magnetism in cobalt nanoclusters8Role of Donor and Acceptor Substituents on the Nonlinear Optical Properties of Gold Nanoclusters22Time-Dependent Density Functional Theory Study on Higher Low-Lying Excited States of Au25(SR)18–19Dopant-Dependent Electronic Structures Observed for M 2 Au 36 (SC 6 H 13 ) 24 Clusters (M = Pt, Pd)77Electrophoretic Mechanism of Au25(SR)18 Heating in Radiofrequency Fields16[Au12(SR)6]2−, As Smaller 8‐Electron Gold Nanocluster Retaining an SP3‐Core. Evaluation of Bonding and Optical Properties from Relativistic DFT Calculations4Roles of thiolate ligands in the synthesis, properties and catalytic application of gold nanoclusters278An Au25(SR)18 Cluster with a Face-Centered Cubic Core39Gold Fusion: From Au 25 (SR) 18 to Au 38 (SR) 24 , the Most Unexpected Transformation of a Very Stable Nanocluster101A Silver Nanocluster Containing Interstitial Sulfur and Unprecedented Chemical Bonds64A Silver Nanocluster Containing Interstitial Sulfur and Unprecedented Chemical Bonds25Time‐dependent density‐functional study of the photoabsorption spectrum of Au25(SC2H4C6H5)18 anion: Validation of the computational protocol16Role of Organic Ligands Orientation on the Geometrical and Optical Properties of Au25(SCH3)18012Customizing the Structure, Composition, and Properties of Alloy Nanoclusters by Metal Exchange234Isomeric Effect of Mercaptobenzoic Acids on the Synthesis, Stability, and Optical Properties of Au25(MBA)18 Nanoclusters57Alloy Clusters: Precise Synthesis and Mixing Effects334Nuclear and Electron Magnetic Resonance Spectroscopies of Atomically Precise Gold Nanoclusters168Regiochemistry of Thiolate for Selenolate Ligand Exchange on Gold Clusters87HPLC of Monolayer-Protected Gold Clusters with Baseline Separation13Deepening the Understanding of Thiolate-Protected Metal Clusters Using High-Performance Liquid Chromatography30Low-Temperature Magnetism in Nanoscale Gold Revealed through Variable-Temperature Magnetic Circular Dichroism Spectroscopy15Characterization of chemically modified gold and silver clusters in gas phase45Characterization of Chemically Modified Gold/Silver Superatoms in the Gas Phase1Controlling magnetism of Au 133 (TBBT) 52 nanoclusters at single electron level and implication for nonmetal to metal transition47Effect of the charge state on bare monoicosahedral [Au 13 ] z+ and diphosphine-protected Au 13 clusters [Au 13 (dmpe) 5 Cl 2 ] z+ : structural, electronic and vibrational DFT studies10Elucidating the optical spectra of [Au 25 (SR) 18 ] q nanoclusters19Total structural determination of [Au 1 Ag 24 (Dppm) 3 (SR) 17 ] 2+ comprising an open icosahedral Au 1 Ag 12 core with six free valence electrons22Surface Chemistry-Mediated Near-Infrared Emission of Small Coinage Metal Nanoparticles92Synthese und Charakterisierung von drei mehrschaligen metalloiden Goldclustern der Zusammensetzung Au32(R3P)12Cl814Synthesis and Characterization of Three Multi‐Shell Metalloid Gold Clusters Au32(R3P)12Cl867Superatom spin-state dynamics of structurally precise metal monolayer-protected clusters (MPCs)16Chiral Noble Metal Nanoparticles and Nanostructures37Reduction-resistant [Au25(cyclohexanethiolate)18]0 with an Icosahedral Au13 Core10Capture of Cesium Ions with Nanoclusters: Effects on Inter- and Intramolecular Assembly49Understanding the Solubility Behavior of Atomically Precise Gold Nanoclusters19Stoichiometric Formation of Open-Shell [PtAu24(SC2H4Ph)18]− via Spontaneous Electron Proportionation between [PtAu24(SC2H4Ph)18]2– and [PtAu24(SC2H4Ph)18]082Vibrational Circular Dichroism of Thiolate-Protected Au25 Clusters: Accurate Prediction of Spectra and Chirality Transfer within the Mixed Ligand Shell18Efficient and Selective Conversion of Phosphine-Protected (MAu8)2+ (M = Pd, Pt) Superatoms to Thiolate-Protected (MAu12)6+ or Alkynyl-Protected (MAu12)4+ Superatoms via Hydride Doping124Nature of mercury inclusion in intermediate 6‐valence electron [M@Au8Hgx(PPh3)8]n+ (M = Au, Pd, Pt; x = 0‐2) protected gold superatoms: Insights from relativistic density functional theory calculations2Density Functional Theory Studies of Muon Stopping Sites and Hyperfine Interaction in [Au25(SR)18]0 Nanocluster5A topological isomer of the Au 25 (SR) 18 − nanocluster48Atomically precise alloy nanoclusters: syntheses, structures, and properties743Gold nanoclusters as electrocatalysts: size, ligands, heteroatom doping, and charge dependences142Superatom Paramagnetism in Au102(SR)441–/0/1+/2+ Oxidation States18Accuracy of the PM6 and PM7 Methods on Bare and Thiolate-Protected Gold Nanoclusters13Chirality and Surface Bonding Correlation in Atomically Precise Metal Nanoclusters209Multiple Ways Realizing Charge‐State Transform in AuCu Bimetallic Nanoclusters with Atomic Precision32Ag 2 Au 50 (PET) 36 Nanocluster: Dimeric Assembly of Au 25 (PET) 18 Enabled by Silver Atoms77Ag2Au50(PET)36 Nanocluster: Dimeric Assembly of Au25(PET)18 Enabled by Silver Atoms6Understanding Doping Effects on Electronic Structures of Gold Superatoms: A Case Study of Diphosphine-Protected M@Au12 (M = Au, Pt, Ir)69Structure and Charge Heterogeneity in Isomeric Au25(MBA)18 Nanoclusters—Insights from Ion Mobility and Mass Spectrometry22Seeing Ligands on Nanoclusters and in Their Assemblies by X-ray Crystallography: Atomically Precise Nanochemistry and Beyond141Reactivity and Lability Modulated by a Valence Electron Moving in and out of 25‐Atom Gold Nanoclusters47Reactivity and Lability Modulated by a Valence Electron Moving in and out of 25‐Atom Gold Nanoclusters8Site-Dependent Spin Delocalization and Evidence of Ferrimagnetism in Atomically Precise Au25(SR)180 Clusters as Seen by Solution 13C NMR Spectroscopy4Controlled Dimerization and Bonding Scheme of Icosahedral M@Au 12 (M=Pd, Pt) Superatoms72Controlled Dimerization and Bonding Scheme of Icosahedral M@Au12 (M=Pd, Pt) Superatoms8Synergistic Effects of Pt and Cd Codoping to Icosahedral Au13 Superatoms51Doping Effect on the Magnetism of Thiolate-Capped 25-Atom Alloy Nanoclusters34Control of single-ligand chemistry on thiolated Au25 nanoclusters122Observable but Not Isolable: The RhAu 24 (PET) 18 1+ Nanocluster11Density Functional Theory Studies of the Electronic Structure and Muon Hyperfine Interaction in [Au25(SR)18]0 and [Au25(SeR)18]0 Nanoclusters9Cd-driven surface reconstruction and photodynamics in gold nanoclusters42Evaluation of ultrasmall coinage metal M 13 (dppe) 6 M = Cu, Ag, and Au clusters. Bonding, structural and optical properties from relativistic DFT calculations7Ligand Design in Ligand‐Protected Gold Nanoclusters306Gas-phase studies of chemically synthesized Au and Ag clusters33The Influence of Pd-Atom Substitution on Au25(SC8H9)18 Cluster Photoluminescence20Magnetism of Atomically Precise Gold and Doped Nanoclusters: Delocalized Spin and Interparticle Coupling31Interactions of Metal Nanoclusters with Light: Fundamentals and Applications143Diversification of Metallic Molecules through Derivatization Chemistry of Au25 Nanoclusters44Atomically Precise Synthesis of Chemically Modified Superatoms1Surface Engineering Assisted Size and Structure Modulation of Gold Nanoclusters by Ionic Liquid Cations49Surface Engineering Assisted Size and Structure Modulation of Gold Nanoclusters by Ionic Liquid Cations5Synthesis of active, robust and cationic Au 25 cluster catalysts on double metal hydroxide by long-term oxidative aging of Au 25 (SR) 1818Site-specific doping of silver atoms into a Au 25 nanocluster as directed by ligand binding preferences25Tailoring the interaction between a gold nanocluster and a fluorescent dye by cluster size: creating a toolbox of range-adjustable pH sensors13Targeted Synthesis of Ligand-Protected Gold Clusters and Exploration of Their Design Principles0Tuning photoelectron dynamic behavior of thiolate-protected MAu 24 nanoclusters via heteroatom substitution28Superatomic Orbital Splitting in Coinage Metal Nanoclusters22Facile construction of acid-resistant Au nanoclusters via hydrophobic carbon coating for catalyzing CO oxidation in acidic media1Ligand Modification of Au 25 Nanoclusters for Near-Infrared Photocatalytic Oxidative Functionalization136Atom-Precision Engineering Chemistry of Noble Metal Nanoparticles15The Factors Dictating Properties of Atomically Precise Metal Nanocluster Electrocatalysts63High-resolution crystal structure of a 20 kDa superfluorinated gold nanocluster23Controlling the Structure, Properties and Surface Reactivity of Clickable Azide‐Functionalized Au25(SR)18 Nanocluster Platforms Through Regioisomeric Ligand Modifications36Controlling the Structure, Properties and Surface Reactivity of Clickable Azide‐Functionalized Au25(SR)18 Nanocluster Platforms Through Regioisomeric Ligand Modifications1Doping‐Mediated Energy‐Level Engineering of M@Au 12 Superatoms (M=Pd, Pt, Rh, Ir) for Efficient Photoluminescence and Photocatalysis171Doping‐Mediated Energy‐Level Engineering of M@Au12 Superatoms (M=Pd, Pt, Rh, Ir) for Efficient Photoluminescence and Photocatalysis9Minimal Active Space for Diradicals Using Multistate Density Functional Theory5Characterization of Pt-doping effects on nanoparticle emission: a theoretical look at Au 24 Pt(SH) 18 and Au 24 Pt(SC 3 H 7 ) 180The Atomically Precise Gold/Captopril Nanocluster Au 25 (Capt) 18 Gains Anticancer Activity by Inhibiting Mitochondrial Oxidative Phosphorylation38Kernels‐Different Au25Nanoclusters Enhanced Catalytic Performance via Modification of Ligand and Electronic Effects12Aggregation-Induced Emission of Gold Nanoclusters by Ionic Liquids for White Light-Emitting Diode and Multiple-Ion Probe Applications22Supervalence Bonding in Bi-icosahedral Cores of [M1Au37(SC2H4Ph)24]− (M = Pd and Pt): Fusion-Mediated Synthesis and Anion Photoelectron Spectroscopy27Mechanistic Insights into Oxidation-Induced Size Conversion of [Au6(dppp)4]2+ to [Au8(dppp)4Cl2]2+5Manifestation of the interplay between spin–orbit and Jahn–Teller effects in Au 25 superatom UV-Vis fingerprint spectra17Mechanism of size conversion and structure evolution of metal nanoclusters1Physical-chemical properties of metal nanoclusters0Pt 17 nanocluster electrocatalysts: preparation and origin of high oxygen reduction reaction activity39Recent developments in the investigation of driving forces for transforming coinage metal nanoclusters170Partially Thiolated Au 25 Cluster Anchored on Carbon Support via Noncovalent Ligand–Support Interactions: Active and Robust Catalyst for Aerobic Oxidation of Alcohols47Effect of Group-10 Element M (Ni, Pd, Pt) on Electronic Structure of Icosahedral M@Au 12 Cores of MAu 24 L 18 (L = Alkynyl, Thiolate)12Electrocatalysis on Atomically Precise Metal Nanoclusters7Total Synthesis of Thiolate‐Protected Noble Metal Nanoclusters4A Double Open-Shelled Au 43 Nanocluster with Increased Catalytic Activity and Stability54Catalysis Synergism by Atomically Precise Bimetallic Nanoclusters Doped with Heteroatoms128Computational Criteria for Hydrogen Evolution Activity on Ligand-Protected Au 25 -Based Nanoclusters33Mechanistic Study of the Hydride Migration-Induced Reversible Isomerization in Au 22 (SR) 15 H Isomers41Ligand engineering of coinage metal nanoclusters: The synthesis and properties of calixarene stabilized nanoclusters3Structural Features, Superatomic Properties, and Adsorptions of Zn–Cd Nanoalloy0Decoding Chemical Formula to Spatial Conformation: A Structural Study Targeting the [Au25(SR)19]0 Nanocluster8Chiral and Achiral Crystal Structures of Au 25 (PET) 18 0 Reveal Effects of Ligand Rotational Isomerization on Optoelectronic Properties3Electronic state modulation of Ag 30 nanoclusters within a ring-shaped polyoxometalate8Enhanced nonlinear optical properties of Au 25 nanocluster oligomers linked by bidentate dithiol13Reactivity of cationic silver clusters with O 2 : a probe of interplay between clusters’ geometric and electronic structures8Rethinking the stability of metal nanoclusters: the individual versus the collective4Tuning the electronic structure of gold cluster-assembled materials by altering organophosphine ligands4Atom-Precise Ligated Copper and Copper-Rich Nanoclusters with Mixed-Valent Cu(I)/Cu(0) Character: Structure–Electron Count Relationships9Introducing Iodide Ligands on IrAu 12 Cluster Enhances Phosphorescence Efficiency and Photoredox Activity11N -Heterocyclic Carbene-Stabilized Atomically Precise Metal Nanoclusters178A DFT investigation of the structure/electron count relationship in an electron-rich copper nanocluster with unprecedented Cu39 superatomic core3Unraveling a Concerted Proton-Coupled Electron Transfer Pathway in Atomically Precise Gold Nanoclusters48

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  1. Geometric Quantification of Chirality in Ligand-Protected Metal Clusters

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  2. A magnetic look into the protecting layer of Au 25 clusters

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  3. Structures and magnetism of mono-palladium and mono-platinum doped Au 25 (PET) 18 nanoclusters

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  4. Crystal Structure of the PdAu24(SR)180Superatom

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  5. Selective and High‐Yield Synthesis of Oblate Superatom [PdAu8(PPh3)8]2+

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  6. Theoretical Insights into the Origin of Photoluminescence of Au25(SR)18– Nanoparticles

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  7. Atomically Precise Colloidal Metal Nanoclusters and Nanoparticles: Fundamentals and Opportunities

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  8. Two Electron Reduction: From Quantum Dots to Metal Nanoclusters

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  9. Vibrational Coupling Modulation in n-Alkanethiolate Protected Au25(SR)180 Clusters

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  10. Reactivity of Metal Clusters

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  11. A grand unified model for liganded gold clusters

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  12. Anion photoelectron spectroscopy of free [Au 25 (SC 12 H 25 ) 18 ] −

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  13. Practical stability of Au 25 (SR) 18 −1/0/+1

    RSC Advances · 2017-01-01

    Christian B. Collins, Marcus A. Tofanelli, Michelle F. Crook, Billy D. Phillips, Christopher J. Ackerson

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  14. Relativistic DFT investigation of electronic structure effects arising from doping the Au 25 nanocluster with transition metals

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  15. The reactivity of phenylethanethiolated gold nanoparticles with acetic acid

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  16. Dissociation of Gas Phase Ions of Atomically Precise Silver Clusters Reflects Their Solution Phase Stability

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  17. Oxidation-Induced Transformation of Eight-Electron Gold Nanoclusters: [Au23(SR)16]− to [Au28(SR)20]0

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  18. A gold superatom with 10 electrons in Au13(PPh3)8(p-SC6H4CO2H)3

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  19. [Pt17(CO)12(PPh3)8]n+ (n = 1, 2): Synthesis and Geometric and Electronic Structures

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  20. Electrocrystallization of Monolayer-Protected Gold Clusters: Opening the Door to Quality, Quantity, and New Structures

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  21. Crystal and Solution Photoluminescence of MAg24(SR)18 (M = Ag/Pd/Pt/Au) Nanoclusters and Some Implications for the Photoluminescence Mechanisms

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  22. Magnetic Ordering in Gold Nanoclusters

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  23. Shuttling single metal atom into and out of a metal nanoparticle

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  24. Resonance Enhancement of Nonlinear Optical Scattering in Monolayer-Protected Gold Clusters

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  25. Gold‐Doping of Double‐Crown Pd Nanoclusters

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  26. Chirality in Ligand-Stabilized Metal Clusters

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  27. Au 25 (SR) 18 : the captain of the great nanocluster ship

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  28. Is the kernel–staples match a key–lock match?

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  29. Ligand mediated evolution of size dependent magnetism in cobalt nanoclusters

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  30. Role of Donor and Acceptor Substituents on the Nonlinear Optical Properties of Gold Nanoclusters

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  31. Time-Dependent Density Functional Theory Study on Higher Low-Lying Excited States of Au25(SR)18–

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  32. Dopant-Dependent Electronic Structures Observed for M 2 Au 36 (SC 6 H 13 ) 24 Clusters (M = Pt, Pd)

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  33. Electrophoretic Mechanism of Au25(SR)18 Heating in Radiofrequency Fields

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  34. [Au12(SR)6]2−, As Smaller 8‐Electron Gold Nanocluster Retaining an SP3‐Core. Evaluation of Bonding and Optical Properties from Relativistic DFT Calculations

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  35. Roles of thiolate ligands in the synthesis, properties and catalytic application of gold nanoclusters

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  36. An Au25(SR)18 Cluster with a Face-Centered Cubic Core

    The Journal of Physical Chemistry C · 2018-05-30

    Tsubasa Omoda, Shinjiro Takano, Seiji Yamazoe, Kiichirou Koyasu, Yuichi Negishi, Tatsuya Tsukuda

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  37. Gold Fusion: From Au 25 (SR) 18 to Au 38 (SR) 24 , the Most Unexpected Transformation of a Very Stable Nanocluster

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    Tiziano Dainese, Sabrina Antonello, Sara Bogialli, Wenwen Fei, Alfonso Venzo, Flavio Maran

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  38. A Silver Nanocluster Containing Interstitial Sulfur and Unprecedented Chemical Bonds

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  39. A Silver Nanocluster Containing Interstitial Sulfur and Unprecedented Chemical Bonds

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  40. Time‐dependent density‐functional study of the photoabsorption spectrum of Au25(SC2H4C6H5)18 anion: Validation of the computational protocol

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  41. Role of Organic Ligands Orientation on the Geometrical and Optical Properties of Au25(SCH3)180

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  42. Customizing the Structure, Composition, and Properties of Alloy Nanoclusters by Metal Exchange

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  43. Isomeric Effect of Mercaptobenzoic Acids on the Synthesis, Stability, and Optical Properties of Au25(MBA)18 Nanoclusters

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  44. Alloy Clusters: Precise Synthesis and Mixing Effects

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    Sakiat Hossain, Yoshiki Niihori, Lakshmi V. Nair, Bharat Kumar, Wataru Kurashige, Yuichi Negishi

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  45. Nuclear and Electron Magnetic Resonance Spectroscopies of Atomically Precise Gold Nanoclusters

    Accounts of Chemical Research · 2018-11-27

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  46. Regiochemistry of Thiolate for Selenolate Ligand Exchange on Gold Clusters

    Journal of the American Chemical Society · 2018-12-11

    Christopher A. Hosier, Christopher J. Ackerson

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  47. HPLC of Monolayer-Protected Gold Clusters with Baseline Separation

    Analytical Chemistry · 2018-12-19

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  48. Deepening the Understanding of Thiolate-Protected Metal Clusters Using High-Performance Liquid Chromatography

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