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Journal articles on the topic 'Au3 cluster'

Author: Grafiati

Published: 5 June 2025

Last updated: 1 August 2025

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1

Cárdenas, C. Emilio, and A. Tlahuice-Flores. "On the structure of Au11(SR)9 and Au13(SR)11 clusters." Physical Chemistry Chemical Physics 23, no. 35 (2021): 19636–46. http://dx.doi.org/10.1039/d1cp02332b.

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2

Zhao, Fei, Yang Wang, and Lihua Kang. "A density functional theory study on the performance of graphene and N-doped graphene supported Au3 cluster catalyst for acetylene hydrochlorination." Canadian Journal of Chemistry 94, no. 10 (2016): 842–47. http://dx.doi.org/10.1139/cjc-2016-0360.

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Density functional theory (DFT) calculation was used to investigate the mechanism of Au3 clusters, separately supported on pure graphene (Au3/graphene) and one graphitic N-doped graphene (Au3/N-graphene). These supported Au3 clusters were used to catalyze acetylene hydrochlorination. Results show that the graphene supporter could obviously enhance the adsorption of reactants. Also, N-atom doping could broaden the energy gap between the HOMO of graphene and the LUMO of Au3, leading to the significantly attenuated interaction between the Au3 cluster and graphene by more than 19 kcal/mol (1 cal =

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3

Wesendrup, Ralf, Tricia Hunt, and Peter Schwerdtfeger. "Relativistic coupled cluster calculations for neutral and singly charged Au3 clusters." Journal of Chemical Physics 112, no. 21 (2000): 9356–62. http://dx.doi.org/10.1063/1.481556.

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4

Osuga, Takafumi, Takashi Murase, and Makoto Fujita. "Triple-Decker Au3-Ag-Au3-Ag-Au3Ion Cluster Enclosed in a Self-Assembled Cage." Angewandte Chemie 124, no. 49 (2012): 12365–67. http://dx.doi.org/10.1002/ange.201207619.

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5

Osuga, Takafumi, Takashi Murase, and Makoto Fujita. "Triple-Decker Au3-Ag-Au3-Ag-Au3Ion Cluster Enclosed in a Self-Assembled Cage." Angewandte Chemie International Edition 51, no. 49 (2012): 12199–201. http://dx.doi.org/10.1002/anie.201207619.

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6

Arratia-Pérez, Ramiro, Lucía Hernández-Acevedo, and Juan S. Gómez-Jeria. "Calculated paramagnetic properties of matrix isolated Au3 cluster." Chemical Physics Letters 236, no. 1-2 (1995): 37–42. http://dx.doi.org/10.1016/0009-2614(95)00000-t.

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7

Niemietz, Marco, Peter Gerhardt, Gerd Ganteför, and Young Dok Kim. "Relaxation dynamics of the Au3− and Au6− cluster anions." Chemical Physics Letters 380, no. 1-2 (2003): 99–104. http://dx.doi.org/10.1016/j.cplett.2003.09.008.

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8

Hartgerink, Colin T., Richard J. Staples та Carolyn E. Anderson. "Crystal structure of tris(2-dicyclohexylphosphino-2′,6′-dimethoxy-1,1′-biphenyl-κP)-μ-oxoethenylidene-triangulo-trigold(I) bis(trifluoromethanesulfonyl)imide". Acta Crystallographica Section E Crystallographic Communications 77, № 5 (2021): 537–41. http://dx.doi.org/10.1107/s2056989021003844.

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The title ketenylidene, [Au3(C2O)(C26H35O2P)3](C2F6NO4S2), was obtained upon exposure of [2-(dicyclohexylphosphino)-2′,6′-dimethoxy-1,1′-biphenyl]gold(I) bis(trifluoromethanesulfonyl)imide to acetic anhydride at elevated temperature. The ketenylidene bridge caps the tri-gold cluster. The title compound has provided crystals that upon analysis represent the first tri-gold ketenylidene with atomic distances indicative of bonding interaction between the gold atoms.

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9

Chang, Wan-Ting, Sachil Sharma, Jian-Hong Liao, et al. "Heteroatom-Doping Increases Cluster Nuclearity: From an [Ag20 ] to an [Au3 Ag18 ] Core." Chemistry - A European Journal 24, no. 54 (2018): 14352–57. http://dx.doi.org/10.1002/chem.201802679.

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10

Cheng, Juan, Joseph Kozole, Robert Hengstebeck, and Nicholas Winograd. "Direct comparison of Au3+ and C60+ cluster projectiles in SIMS molecular depth profiling." Journal of the American Society for Mass Spectrometry 18, no. 3 (2007): 406–12. http://dx.doi.org/10.1016/j.jasms.2006.10.017.

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11

Muñoz-Castro, A., D. Mac-Leod Carey, and R. Arratia-Pérez. "Electronic structure, molecular properties and electronic currents of the luminescent [Au3(CH3NCOCH3)3] cluster." Chemical Physics Letters 474, no. 4-6 (2009): 290–93. http://dx.doi.org/10.1016/j.cplett.2009.04.068.

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12

Tian, Zhimei, Yangyang Xu, and Longjiu Cheng. "New Perspectives on the Electronic and Geometric Structure of Au70S20(PPh3)12 Cluster: Superatomic-Network Core Protected by Novel Au12(µ3-S)10 Staple Motifs." Nanomaterials 9, no. 8 (2019): 1132. http://dx.doi.org/10.3390/nano9081132.

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In order to increase the understanding of the recently synthesized Au70S20(PPh3)12 cluster, we used the divide and protect concept and superatom network model (SAN) to study the electronic and geometric of the cluster. According to the experimental coordinates of the cluster, the study of Au70S20(PPh3)12 cluster was carried out using density functional theory calculations. Based on the superatom complex (SAC) model, the number of the valence electrons of the cluster is 30. It is not the number of valence electrons satisfied for a magic cluster. According to the concept of divide and protect, A

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13

Braun, Christian, Sebastian Proch, Hyun Ook Seo, Young Dok Kim, and Gerd Ganteför. "Studies of femtosecond time-resolved photoelectron spectroscopy of Au3-(H2O)m clusters: Alteration of cluster relaxation dynamics of metal clusters by water molecules." Chemical Physics Letters 530 (March 2012): 35–38. http://dx.doi.org/10.1016/j.cplett.2012.01.078.

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14

Li, Min, Bo Wang, Hengrui Ma, Fuqi Ma, Hongxia Wang, and Xiao Wang. "Adsorption Mechanisms of TM3 (TM = Mo, Ru, Au)-Decorated Tin Sulfide Monolayers for the Decomposition of Gas Components under Fault Conditions in Oil-Immersed Transformers." Molecules 29, no. 5 (2024): 934. http://dx.doi.org/10.3390/molecules29050934.

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Oil-immersed transformers play a pivotal role owing to their environmentally friendly characteristics, compact footprint, and cost-effectiveness. Ensuring the online monitoring of oil-immersed transformers is a fundamental measure to ensure the secure and stable operation of modern power systems. In this paper, metal particle cluster-doped SnS is firstly used in the adsorption and sensing of decomposition components (CO, C2H2) under fault conditions in oil-immersed transformers. The study comprehensively analyzed band structure, differential charge density, density of states, and molecular orb

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15

Sarita, Yadav, Singhal Sonal, and Goel Neetu. "A systematic investigation of acetylene hydrohalogenation catalyzed by gold cluster via density functional theory." Journal of Indian Chemical Society Vol. 96, Jul 2019 (2019): 869–73. https://doi.org/10.5281/zenodo.5644636.

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Department of Chemistry and Centre for Advanced studies in Chemistry, Panjab University, Chandigarh-160 014, Punjab, India <em>E-mail:</em> neetugoel@pu.ac.in <em>Manuscript received online 28 April 2019, revised and accepted 17 May 2019</em> The mechanisms for the addition of HX (X = F, Cl, Br and I) on acetylene catalyzed by neutral acetylene Au<sub>3</sub> cluster has been investigated within the formalism of density functional theory (DFT). The gold cluster is shown to play role as the bridge for the transfer of electron from highest occupied molecular orbital (HOMO) of Au<sub>3</sub> -C<s

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16

Petcu, Gabriela, Florica Papa, Elena Maria Anghel, et al. "Effects of Aluminosilicate Gel Treatment and TiO2 Loading on Photocatalytic Properties of Au–TiO2/Zeolite Y." Gels 9, no. 6 (2023): 503. http://dx.doi.org/10.3390/gels9060503.

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The present work reports the synthesis of efficient Ti–Au/zeolite Y photocatalysts by different processing of aluminosilicate gel and studies the effect of titania content on the structural, morphological, textural, and optical properties of the materials. The best characteristics of zeolite Y were obtained by aging the synthesis gel in static conditions and mixing the precursors under magnetic stirring. Titania (5, 10, 20%) and gold (1%) species were incorporated in zeolite Y support by the post-synthesis method. The samples were characterized by X-ray diffraction, N2-physisorption, SEM, Rama

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17

Wang, Zhi-Yin, Tian-Lei Zhang, Qiu-Hui Li, Qi Xue, and Rui Wang. "Possible reasons that catalytic reactivity towards low-temperature CO oxidation has not been found in Au3− cluster." Computational and Theoretical Chemistry 1085 (June 2016): 75–81. http://dx.doi.org/10.1016/j.comptc.2016.04.001.

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18

Guo, Jian-Wei. "(Invited) To Prepare 2D Au Nanoplates and Its Controlled Molecular Self-Assembly (MS) Mechanism." ECS Meeting Abstracts MA2023-02, no. 57 (2023): 2780. http://dx.doi.org/10.1149/ma2023-02572780mtgabs.

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It is very important to prepare 2D noble-metal nanomaterials, but very little is known about their chemical synthesis at molecular level. In this paper, we found the classic citric (CA) reduction method can prepare 2D Au nanoplates with a large range for 2D size (3-150nm). Furthermore, these 2D Au nanoplates exhibit thin thickness (8-20nm), along with two kinds of single crystal structure as 2D Au (110) –dominated and Au (111) –dominated nanoplates. To explore their preparation, we adjusted the CA reduction kinetic as CA additive→ acetone dicarboxylic acid (DCA) →acetone, revealing the interme

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19

Koshevoy, Igor O, Laura Koskinen, Matti Haukka, et al. "Self-Assembly of Supramolecular Luminescent AuI–CuI Complexes: “Wrapping” an Au6Cu6 Cluster in a [Au3(diphosphine)3]3+ “Belt”." Angewandte Chemie 120, no. 21 (2008): 4006–9. http://dx.doi.org/10.1002/ange.200800452.

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20

Strienz, Markus, and Andreas Schnepf. "Au30(PiPr2nBu)12Cl6—An Open Cluster Provides Insight into the Influence of the Sterical Demand of the Phosphine Ligand in the Formation of Metalloid Gold Clusters." Molecules 29, no. 2 (2024): 286. http://dx.doi.org/10.3390/molecules29020286.

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Phosphine-stabilized gold clusters are an important subgroup of metalloid gold cluster compounds and are important model compounds for nanoparticles. Although there are numerous gold clusters with different phosphine ligands, the effect of phosphine on cluster formation and structure remains unclear. While the linear alkyl-substituted phosphine gold chlorides result in a Au32 cluster, the bulky tBu3P leads to a Au20 cluster. The reduction of (iPr2nBuP)AuCl, with the steric demand of the phosphine ligand between the mentioned phosphines, results in the successful synthesis and crystallization o

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21

Suresh Kumar, N. V. "Surface enhanced Raman scattering of neutral and zwitterionic α- and β-Proline monomers adsorbed on Au3 cluster: A DFT study". Vibrational Spectroscopy 98 (вересень 2018): 15–21. http://dx.doi.org/10.1016/j.vibspec.2018.06.008.

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22

McQuaid, Harold, Davide Mariotti, and PAUL Maguire. "Rapid Free Electron Reduction in Plasma Irradiated Microscale Water Droplets." ECS Meeting Abstracts MA2023-01, no. 20 (2023): 1505. http://dx.doi.org/10.1149/ma2023-01201505mtgabs.

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Many reaction studies show that microdroplets can provide a new avenue for green chemistry by enabling the electrochemical activity of water molecules. The observation of enhanced chemical reaction rates in gas-phase microdroplets compared to bulk liquids, often by orders of magnitude, has sparked considerable research interest. A number of factors may be involved, including evaporation enhanced reactant concentration, partial solvation at the surface, high surface to bulk number ratio, enhanced surface rate constants, pH gradients, gas-phase reactions and mass transfer, electric field enhance

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23

Zhou, Hong, Jun Qing Wen, Jun Feng Wang, and Jun Fei Wang. "Study of Optical Characteristics of H₂S Molecule Adsorption on Ag_n (n=3,5) Clusters." Advanced Materials Research 690-693 (May 2013): 611–14. http://dx.doi.org/10.4028/www.scientific.net/amr.690-693.611.

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All electronic structures and infrared adsorption spectra of AgnH2S (n=3, 5) clusters have been performed by using density functional theory. We obtain the lowest-energy structures of Ag3, Ag5, Ag3H2S and Ag5H2S clusters. The calculation results show that the lowest-energy structures of Ag3 and Ag5 clusters are planar geometries. The lowest-energy structures of Ag3H2S and Ag5H2S can be obtained by adsorbs immediately H2S on Ag3 and Ag5 clusters. The peak of infrared spectrum is 120cm-1 for Ag3 cluster, which is smaller than that of Ag5 cluster (180 cm-1). The peak of infrared spectrum is 350cm

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24

Moncho, Salvador, Edward N. Brothers, and Benjamin G. Janesko. "A Benchmark Study of H2 Activation by Au3 and Ag3 Clusters." Journal of Physical Chemistry C 117, no. 15 (2013): 7487–96. http://dx.doi.org/10.1021/jp3098704.

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25

Roy, Ghanashyam, and Asoke Prasun Chattopadhyay. "Methane Dissociation on Bimetallic AuNi3 , Au2 Ni2 and Au3 Ni Clusters-A DFT Study." ChemistrySelect 3, no. 11 (2018): 3133–40. http://dx.doi.org/10.1002/slct.201800184.

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26

Pailliè-Jiménez, Maria Elisa, Jamile Queiroz Pereira, Eliseu Rodrigues, and Adriano Brandelli. "Biosynthetic Gene Clusters and Liquid Chromatography Coupled to Mass Spectrometry Analysis of Aryl Polyene Pigments from Chryseobacterium sp. kr6 and Lysobacter sp. A03." Colorants 4, no. 1 (2025): 1. https://doi.org/10.3390/colorants4010001.

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Aryl polyene (APE) are bacterial pigments which show great biotechnological potential because of their biological activities. In this study, the presence of gene clusters associated with APE synthesis was investigated in the genome of Chryseobacterium sp. kr6 and Lysobacter sp. A03. The pigments extracted from strains kr6 and A03 were further characterized by liquid chromatography coupled to a high-resolution mass spectrometer (LC-DAD-MS). These bacteria harbor the relevant genes for APE biosynthesis; while kr6 may produce flexirubin pigments and have a 75% similarity with the flexirubin clust

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27

Chen, Kuan Yu, Yi Ting Kong, and Shyi Long Lee. "Theoretical Studies of Au₃^+/0/- Clusters Using Density Funtional Theory." Key Engineering Materials 862 (September 2020): 94–98. http://dx.doi.org/10.4028/www.scientific.net/kem.862.94.

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In this study, the PW91PW91 method with LANL2DZ level was carried out to settle the dispute about the most stable structure of Au3+/0/-. Molecular orbital analyses and Walsh diagram were adopted to rationalize our computational result about the ground state geometry of Au3+/0/-. Our results show that the most stable geometry of Au3 is bent structure (C2v) with bond angle 146.0°. The less stable structure is equilateral triangle structure (D3h) with relative energies of 1.74 eV. The D3h structure possesses multiplicity 4 while the C2v structure 2. In addition, the most stable geometry of Au3+ a

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28

Habeeb Muhammed, M. A., and T. Pradeep. "Reactivity of Au25 clusters with Au3+." Chemical Physics Letters 449, no. 1-3 (2007): 186–90. http://dx.doi.org/10.1016/j.cplett.2007.10.065.

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29

Gromova, Yana A., Andrey V. Solovyev, Alexander Yu Ermilov, and Tatyana I. Shabatina. "INTERACTION OF SILVER CLUSTERS WITH 7-AMINOCHOLESTEROL: NON-EMPIRICAL STUDY." Lomonosov chemistry journal 66, no. 2, 2025 (2025): 107–13. https://doi.org/10.55959/msu0579-9384-2-2025-66-2-107-113.

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The structures of small silver clusters (Agn, n = 1–3, n =13) and their complexes with 7-aminocholesterol (NCh) were calculated using density functional theory with B3LYP5 parameterization. The 7-aminocholesterol ligand has two active coordination centers: lone pairs on the N- and O-atoms. Trends in the geometric structure and interaction energy of the “silver-7 – aminocholesterol” complexes were evaluated depending on the size of the metal cluster. It was found that coordination of the metal cluster to the nitrogen atom is preferable in all cases. The most stable complex is Ag3–NCh (Ag3–(N)–N

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30

E. Punitha and T. Sabesan. "Genetic diversity and screening of rice genotypes against yellow stem borer, Scirpophaga incertulas (Walker) under coastal saline ecosystem of Tamil Nadu." Ecology, Environment and Conservation 31, Suppl (2025): S125—S132. https://doi.org/10.53550/eec.2025.v31i01s.023.

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The present study was carried out to assess the extent of divergence and evaluate the stem borer resistance in 120 rice genotypes under natural condition during Samba season. Mahala nobis D2 values and nonhierarchical Euclidean cluster analysis categorized the genotypes in eight clusters. The maximum intra cluster D2 was obtained in cluster VII (1973.205) and farthest inter cluster distance was observed between clusters IV and VII (4285.173). The clusters IV, VI and VII exerted that superior cluster mean performance. The characters viz., grain yield per plant, grain breadth and days to fifty p

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31

Lin, Sisi, and Yong Pei. "Mechanistic Insight into the Styrene-Selective Oxidation on Subnanometer Gold Clusters (Au16–Au20, Au27, Au28, Au30, and Au32–Au35): A Density Functional Theory Study." Journal of Physical Chemistry C 118, no. 35 (2014): 20346–56. http://dx.doi.org/10.1021/jp505018g.

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32

Kenzler, Sebastian, Claudio Schrenk, and Andreas Schnepf. "Au54(Et3P)18Cl12: a structurally related cluster to Au32(Et3P)12Cl8 gives insight into the formation process." Dalton Transactions 49, no. 31 (2020): 10765–71. http://dx.doi.org/10.1039/d0dt02262d.

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Cluster fusion? A slight change in the synthetic procedure of Au<sub>32</sub>(Et<sub>3</sub>P)<sub>12</sub>Cl<sub>8</sub> leads to the metalloid gold cluster Au<sub>54</sub>(Et<sub>3</sub>P)<sub>18</sub>Cl<sub>12</sub>, giving further insight into the formation mechanism, showing new structural motifs within metalloid gold clusters

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33

Genest, Alexander, Sven Krüger, Alexei B. Gordienko, and Notker Rösch. "Gold-Thiolate Clusters: A Relativistic Density Functional Study of the Model Species Au13(SR)n, R = H, CH3, n = 4, 6, 8." Zeitschrift für Naturforschung B 59, no. 11-12 (2004): 1585–99. http://dx.doi.org/10.1515/znb-2004-11-1232.

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The binding of sulfanyl and alkylsulfanyl model ligands to gold clusters was studied for the case of Au13(SR)n with R = H, CH3 and n = 4, 6, 8. Accurate all-electron electronic structure calculations and geometry optimizations of these gold-thiolate clusters have been performed with a scalar relativistic Kohn-Sham procedure as implemented in the density functional program PARAGAUSS. In all structures obtained, bridge coordination was preferred for both types of ligands; no higher coordinated sites where occupied. While in many cases ligand decoration did not change the overall structure of the

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34

Zhong, Jing, Li Chen, Di Wu, Lu Li, Leya Bai, and Jinliang Hou. "Exploring open cluster properties with Gaia and LAMOST." Astronomy & Astrophysics 640 (August 2020): A127. http://dx.doi.org/10.1051/0004-6361/201937131.

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Context. In Gaia DR2, an unprecedented high level of precision has been reached at sub-milliarcsecond for astrometry and millimagnitudes for photometry. Using cluster members identified with the astrometry and photometry in Gaia DR2, we can obtain a reliable determination of cluster properties. However, because of the shortcomings of Gaia spectroscopic observations in dealing with densely crowded cluster regions, the RVs and metallicity values for cluster member stars from Gaia DR2 are still lacking. It is necessary to combine the Gaia data with the data from large spectroscopic surveys, such

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35

Schmid, Günter, Abdel K. Boutrid, and Eva-Maria Kreuzer. "Azaborolyl-Komplexe, 25 Das (1-tert-Butyl-2-methyl-1 H-1,2-azaborolyl)cobalt-Fragment (AbCo) als Synthesebaustein / Azaborolyl Complexes, 25. The (1-tert-Butyl-2-methyl-1 H-1,2-azaborolyl)cobalt Fragment (AbCo) as Building Block in Synthesis." Zeitschrift für Naturforschung B 45, no. 9 (1990): 1235–42. http://dx.doi.org/10.1515/znb-1990-0903.

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The (1-tert-butyl-2-methyl-1 H-1,2-azaborolyl)cobalt fragment (AbCo), available from AbCo(C2H4)2 (1), serves as a building block in a series of complexes and clusters. The mononuclear complexes AbCo(C2H4)PMe3 (2), AbCo(PMe3)2 (3), AbCo(C2H4)P(OMe)3 (4), AbCo(P(OMe)3)2 (5), AbCo(C2H4)CO (6), and AbCo(CO)2 (7) are easily prepared from 1. AbCo(CpH) (8) is formed from 1 and CpCo(C2H4)2 together with AbCp3Co4H4 (9). The tetranuclear cluster Ab4Co4H4 (10) results, if 1 is warmed to 80 °C without a solvent. Ab3(CO)3Co3 (11) is available by a co-thermolysis of 1 and 7. Thermolysis of 6 leads to the tr

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36

SOLOVIEV, A. V., A. YU ERMILOV, YU N. MOROSOV, and T. I. SHABATINA. "MODELLING OF SILVER CLUSTER COMPLEXES WITH ANTIBACTERIAL MEDICATION DIOXIDINE." Lomonosov chemistry journal 65, no. 1, 2024 (2024): 31–38. http://dx.doi.org/10.55959/msu0579-9384-2-2024-65-1-31-38.

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By the method of the electron density functional in the variant DFT/B3L-YP5 the structures of small silver clusters (Agn, n = 1-3, 13) and their molecular complexes with antibacterial medication dioxidine (Dx) were calculated. The features in the geometric structure and energy of the interaction “metal cluster - dioxidine ligand” depending on the size (nuclearity) of the metal cluster are considered. For small clusters (n = 1-3), the tendency of metal coordination to only one of the oxygen atoms of the ligand molecule was revealed. The most stable are the complexes of silver trimers Dx-Ag3 and

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37

Son, Sungmin, Jieun Kim, Kyungsuk Ryu, and Haejoo Chung. "Creating a Concept Map to Construct the Concept of Smart Healthy City: A Pilot Study." Academy of Urban Health 2, no. 2 (2023): 5–15. http://dx.doi.org/10.59013/auh.2023.2.2.001.

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Purpose: This research aims to creating a concept map to construct the concept of smart healthy city in a scholarly and precise manner. Methods: Concept mapping methodology was employed to construct the concept of a Smart Healthy City, involving stages such as concept map preparation, generation of final statement statements, statement structuring, concept map analysis, and concept map organization and interpretation. Multidimensional scaling and hierarchical cluster analysis were performed during concept map analysis. Results: Eight experts participated in this study, contributing

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38

Rekha, T. N., and Beulah J. M. Rajkumar. "Density functional theory study on silver clusters using dimers, trimers, and tetramers as building units." Canadian Journal of Physics 93, no. 3 (2015): 318–25. http://dx.doi.org/10.1139/cjp-2014-0256.

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We systematically investigate growth patterns of small silver clusters, Agn (n ≤ 10), using density functional theory (DFT) and time-dependent density functional theory (TDDFT), considering Ag2, Ag3, and Ag4 as basic building units. Nearest-neighbor distances increase gradually with increasing n. Compared with an earlier study, where the clusters were developed by adding one atom at a time, the clusters derived in this investigation had considerably higher computed binding energies, confirming increased stability and suggesting possible growth patterns using these basic units. We used TDDFT me

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39

Lechtken, Anne, Detlef Schooss, Jason R Stairs, et al. "Au34−: A Chiral Gold Cluster?" Angewandte Chemie International Edition 46, no. 16 (2007): 2944–48. http://dx.doi.org/10.1002/anie.200604760.

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40

Sharma, Shailendra K., Bernt Johannessen, Vladimir B. Golovko, and Aaron T. Marshall. "X-ray Absorption Spectroscopy of Phosphine-Capped Au Clusters." Inorganics 11, no. 5 (2023): 191. http://dx.doi.org/10.3390/inorganics11050191.

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The structural determination of ultrasmall clusters remains a challenge due to difficulties in crystallisation. Often the atomically precise clusters undergo structural change under the influence of the environment. X-ray absorption spectroscopy (XAS) can be an attractive tool to study the electronic and geometric properties of such clusters deposited onto various supports under in situ conditions. Herein, [Au6(dppp)4](NO3)2, [Au9(PPh3)8](NO3)3, [Au13(dppe)5Cl2]Cl3, and Au101(PPPh3)21Cl5 clusters were studied using XAS. The clusters exhibited distinct features compared to bulk gold. XANES resu

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41

Eberhardt, Laurie S. "Use and Selection of Sap Trees by Yellow-Bellied Sapsuckers." Auk 117, no. 1 (2000): 41–51. http://dx.doi.org/10.1093/auk/117.1.41.

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Abstract Yellow-bellied Sapsuckers (Sphyrapicus varius) obtain phloem sap from clusters of holes that they peck in living trees. I examined trees that sapsuckers used for sap extraction in northern Michigan and tested several hypotheses to explain why they choose specific trees for attack and why they cluster their holes in one place on the bole of each of these focal trees. Sapsuckers preferentially attacked individuals of paper birch (Betula papyrifera), red maple (Acer rubrum), juneberry (Amelanchier sp.) and bigtooth aspen (Populus grandidentata). They made clusters of sap holes an average

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VARADARAJAN, RAJAN, and KRISHNA SAMPATH. "Application of Machine Learning to Regression Analysis of a Large SMA Weld Metal Database." Welding Journal 102, no. 3 (2023): 31–52. http://dx.doi.org/10.29391/2023.102.004.

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A machine learning approach was used to perform a regression analysis of Evans’s shielded metal arc (SMA) weld metal (WM) database involving several groups of Fe-C-Mn high-strength steels. The objective of this investigation was to develop an expression for austenite-to-ferrite (Ar3) transformation temperature that also included the effects of principal and minor alloy elements (in wt-%) and weld cooling rate (in °C/s) and relate this expression with WM ultimate tensile strength (UTS). The Ar3 data from 257 records obtained from several selected sources were combined with Ar3 projections at ex

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Balan, Etienne, Guillaume Radtke, Chloé Fourdrin, Lorenzo Paulatto, Heinrich A. Horn, and Yves Fuchs. "Effect of Fe–Fe interactions and X-site vacancy ordering on the OH-stretching spectrum of foitite." European Journal of Mineralogy 35, no. 1 (2023): 105–16. http://dx.doi.org/10.5194/ejm-35-105-2023.

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Abstract. The OH-stretching infrared absorption spectrum of a tourmaline sample close to the foitite end-member is interpreted in the light of the density functional theory (DFT) modeling of iron-bearing Y3Z6 clusters in tourmaline. The iron-bearing clusters reflect the Al-rich and Na-deficient character of foitite and contain either two Fe2+ and one Al3+ or one Fe2+ and two Al3+ ions at the Y sites. The clusters are embedded in a tourmaline host structure with dravite composition. For the iron dimer models, the structural and vibrational properties corresponding to the ferromagnetic (FM) or a

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Kislyuk, Victor, Andrii Melnyk, Nikolay Buryak, and Volodymyr Trachevskij. "NMR study of Au/Al nanosytems in solution." Journal of Electrical Engineering 70, no. 7 (2019): 95–100. http://dx.doi.org/10.2478/jee-2019-0048.

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Abstract Nuclear magnetic resonance spectroscopy (NMR) 1H, 35Cl, 27Al and 13C was applied to study underlying processes at the various stages of the synthesis of Au/Al nanoparticles. 35Cl spectrum was downfield shifted by 2.6 ppm as to the reference signal of the hydrated Cl− ion in NaCl solution. The evolution of the NMR spectra points to the formation of the stabilized shell around the gold containing nucleus. The shell restricts the supply of the reducing agents, which is the condition for the formation of Au2+ state at the concentration range in question. The electron paramagnetic resonanc

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Russo, Michael F., Igor A. Wojciechowski, and Barbara J. Garrison. "Sputtering of amorphous ice induced by C60 and Au3 clusters." Applied Surface Science 252, no. 19 (2006): 6423–25. http://dx.doi.org/10.1016/j.apsusc.2006.02.243.

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Pirskyy, Yuri, Alena Lavrynenko, Oksana Krupennikova, and Fedor Manilevich. "OXYGEN REDUCTION ON THE SURFACE OF Fe3O4&Au NANOCOMPOSITES." Ukrainian Chemistry Journal 86, no. 6 (2020): 87–98. http://dx.doi.org/10.33609/2708-129x.86.6.2020.87-98.

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Functional materials based on ferromagnetics and noble metals are attractive due to their unique optical, catalytic and magnetic properties. Nowadays these materials find their application in various fields of science and technology: medicine, biotechnology, chemistry, physics and energy sector. The aim of the present work is to study the electrochemical characteristics of the oxygen reduction on the surface of Fe3O4&Au nanocomposites. The formation of the composite particles took place on the surface of a rotating steel disk which was in contact with HAuCl4 aqueous solution and air. Initi

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Al-Otaibi, Jamelah S., Y. Sheena Mary, Y. Shyma Mary, and Maria Cristina Gamberini. "Revealing the adsorption of sulfanilamide on pristine Ag3, Au3, Cu3 and AgAuCu clusters: Sensing mechanism, SERS activity and docking studies by DFT." Computational and Theoretical Chemistry 1237 (July 2024): 114662. http://dx.doi.org/10.1016/j.comptc.2024.114662.

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Gu, Xiao, Satya Bulusu, Xi Li, et al. "Au34-: A Fluxional Core−Shell Cluster." Journal of Physical Chemistry C 111, no. 23 (2007): 8228–32. http://dx.doi.org/10.1021/jp071960b.

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Huang, Lulu, Wen Liu, and Xiaopeng Xing. "Adsorption of O2 on the Preferred -O-Au Sites of Small Gold Oxide Clusters: Charge-dependent Interaction and Activation." Molecules 29, no. 7 (2024): 1645. http://dx.doi.org/10.3390/molecules29071645.

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Decades of research have illuminated the significant roles of gold/gold oxide clusters in small molecule catalytic oxidation. However, many fundamental questions, such as the actual sites to adsorb and activate O2 and the impact of charge, remain unanswered. Here, we have utilized an improved genetic algorithm program coupled with the DFT method to systematically search for the structures of Au1–5Ox−/+/0 (x = 1–4) and calculated binding interactions between Au1–5Ox−/+/0 (x = 1–2) and O2, aiming to determine the active sites and to elucidate the impact of different charge states in gold oxide s

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Jabbarzadeh Sani, Mahnaz. "Spin-Orbit Coupling Effect on the Electrophilicity Index, Chemical Potential, Hardness and Softness of Neutral Gold Clusters: A Relativistic Ab-initio Study." HighTech and Innovation Journal 2, no. 1 (2021): 38–50. http://dx.doi.org/10.28991/hij-2021-02-01-05.

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Electrophilicity index (𝜔) is related to the energy lowering associated with a maximum amount of electron flow between a donor and an acceptor and possesses adequate information regarding structure, stability, reactivity and interactions. Chemical potential (μ) measures charge transfer from a system to another having a lower value of μ, while chemical hardness (η) is a measure of characterizing relative stability of clusters. The main purpose of the present research work is to examine the Spin-Orbit Coupling (SOC) effect on the behavior of the electrophilicity index, chemical potential, hardne

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