scholarly journals Molecular “surgery” on a 23-gold-atom nanoparticle

2017 ◽  
Vol 3 (5) ◽  
pp. e1603193 ◽  
Author(s):  
Qi Li ◽  
Tian-Yi Luo ◽  
Michael G. Taylor ◽  
Shuxin Wang ◽  
Xiaofan Zhu ◽  
...  
Keyword(s):  
Gold Atom ◽  
Molecular Surgery

Explaining the magnetism of gold

2017 ◽  
Author(s):  
Robson de Farias
Keyword(s):  
Gas Phase ◽  
Computational Study ◽  
Formation Enthalpy ◽  
Gold Atom ◽  
Orbital Energy ◽  
Knudsen Effusion ◽  
Energy Diagram ◽  
Unpaired Electrons ◽  
The Difference ◽  
Good Agreement

<p>In the present work, a computational study is performed in order to clarify the possible magnetic nature of gold. For such purpose, gas phase Au<sub>2</sub> (zero charge) is modelled, in order to calculate its gas phase formation enthalpy. The calculated values were compared with the experimental value obtained by means of Knudsen effusion mass spectrometric studies [5]. Based on the obtained formation enthalpy values for Au<sub>2</sub>, the compound with two unpaired electrons is the most probable one. The calculated ionization energy of modelled Au<sub>2</sub> with two unpaired electrons is 8.94 eV and with zero unpaired electrons, 11.42 eV. The difference (11.42-8.94 = 2.48 eV = 239.29 kJmol<sup>-1</sup>), is in very good agreement with the experimental value of 226.2 ± 0.5 kJmol<sup>-1</sup> to the Au-Au bond<sup>7</sup>. So, as expected, in the specie with none unpaired electrons, the two 6s<sup>1</sup> (one of each gold atom) are paired, forming a chemical bond with bond order 1. On the other hand, in Au<sub>2</sub> with two unpaired electrons, the s-d hybridization prevails, because the relativistic contributions. A molecular orbital energy diagram for gas phase Au<sub>2</sub> is proposed, explaining its paramagnetism (and, by extension, the paramagnetism of gold clusters and nanoparticles).</p>

Interaction of Gold Atom with Clusters of Water: Few Computational Mise-En-Scènes with Hydrogen Bonding Motif

2008 ◽  
Vol 73 (11) ◽  
pp. 1457-1474 ◽  
Author(s):  
Eugene S. Kryachko
Keyword(s):  
Hydrogen Bond ◽  
Hydrogen Bonding ◽  
Computational Model ◽  
Photoelectron Spectroscopy ◽  
Water Clusters ◽  
Gold Atom ◽  
Proton Acceptor ◽  
Anion Photoelectron Spectroscopy ◽  
Relationship Of ◽  
First Time

The present work outlines the fair relationship of the computational model with the experiments on anion photoelectron spectroscopy for the gold-water complexes [Au(H2O)1≤n≤2]- that is established between the auride anion Au- and water monomer and dimer thanks to the nonconventional hydrogen bond where Au- casts as the nonconventional proton acceptor. This work also extends the computational model to the larger complexes [Au(H2O)3≤n≤5]- where gold considerably thwarts the shape of water clusters and even particularly breaks their conventional hydrogen bonding patterns. The fascinating phenomenon of the lavish proton acceptor character of Au- to form at least six hydrogen bonds with molecules of water is computationally unveiled in the present work for the first time.

Molecular Surgery at Microporous MOF for Mesopore Generation and Renovation

2021 ◽  
Author(s):  
Bo Liu ◽  
Mohamed K Albolkany ◽  
Congyan Liu ◽  
Yang Wang ◽  
Chunhui Chen ◽  
...  
Keyword(s):  
Molecular Surgery

A Protein Patterning Technique And Its Application In Bio-Inspired Self-Assembly

2002 ◽  
Vol 735 ◽  
Author(s):  
D. Guo ◽  
H. McNally ◽  
M. Pingle ◽  
D. Bergstrom ◽  
R. Bashir
Keyword(s):  
Self Assembly ◽  
Specific Binding ◽  
Gold Atom ◽  
Protein Patterning ◽  
Contact Mode ◽  
Microelectronic Fabrication ◽  
Micron Size ◽  
Patterning Technique ◽  
Lift Off ◽  
20 Nm

ABSTRACTProtein patterning techniques are crucial for the development of antibody-based biosensor and the study of controlled cell growth. This paper discusses a protein patterning technique based on microelectronic fabrication, DNA hybridization and biotin-streptavidin pair. A gold-on-silicon-dioxide substrate with micron size pattern was fabricated with photolithography and lift-off process. The average surface roughness of the gold pattern is 4.3 nm, measured by contact mode AFM. Thiol derivatized single stranded DNA was attached to the gold pattern surface by the chemical bonding between gold atom and sulfur atom. Surface attached DNA was then hybridized with a biotin conjugated complementary DNA sequence. Thus, the gold pattern was translated into a biotin pattern with similar resolution. Fluorescein conjugated streptavidin was patterned as demonstration. Fluorescence microscopy shows relative uniform streptavidin coverage of micron resolution and low background non-specific binding. The proposed protein patterning technique takes advantage of the high resolution of modern microelectronic fabrication. It has the potential of reaching sub-micron resolution. The biotin-streptavidin pair provides extremely specific and stable linking for protein immobilization. To show its application in biological inspired self-assembly, this technique was used successfully in the self-assembly of 20 nm streptavidin conjugated gold particles.

scholarly journals Die Kristallstrukturen von (1,5-Ditolylpentaazadienido)(triphenylphosphan)gold(I) und 1,5-Ditolyl-3-methylpentaazadien / The Crystal Structures of (1,5-Ditolylpentaazadienido)(triphenylphosphane)gold(I) and 1,5-Ditolyl-3-methylpentaazadien

1988 ◽  
Vol 43 (10) ◽  
pp. 1219-1223 ◽  
Author(s):  
Johannes Beck
Keyword(s):  
Nitrogen Atom ◽  
Crystal Structures ◽  
Phosphorus Atom ◽  
Gold Atom ◽  
Monoclinic Space Group ◽  
Orthorhombic Space Group ◽  
Space Group ◽  
Lattice Constants ◽  
Monomeric Complex ◽  
Single Bonds

PPh3Au(tolN5tol) is obtained by the reaction of PPh3Au+ClO4- with Tl(tolN5tol). It crystallizes in the monoclinic space group P21/c with the lattice parameters a = 1548.8(5), b = 1070.7(2), c = 1779.1(3) pm, β = 90.33(2)°, Z = 4. In the monomeric complex the gold atom is nearly linearcoordinated by the phosphorus atom of the PPh3 group and nitrogen atom N3 of the pentaazadienido ligand ( N3 - Au - P 178.4°). tolNN(NCH3)NNtol crystallizes in the orthorhombic space group Pccn with the lattice constants a = 2426.7(9), b = 469.3(2), c = 1195.3(4) pm. The unit cell contains four molecules, located on twofold axes. Due to the isolobality of the CH3 and the PPh3Au group, the two structures are closely related. Both contain the typical planar zig-zag chain of five nitrogen atoms with located double bonds N1-N2 and N4 - N5 (from 119.8 to 126.6 pm) and shortened single bonds N2 - N3 and N3 - N4 (132.7 to 140.0 pm).

Molecular surgery of DNA

1998 ◽  
Author(s):  
Takatoki Yamamoto ◽  
Masao Washizu ◽  
Osamu Kurosawa ◽  
Nobuo Shimamoto
Keyword(s):  
Molecular Surgery

scholarly journals Ion-molecule reactions catalyzed by a single gold atom

2020 ◽  
Vol 11 (32) ◽  
pp. 8502-8505
Author(s):  
Shengfu Yang ◽  
Hong Wu ◽  
Qiquan Luo ◽  
Aula M. Al Hindawi ◽  
Berlian Sitorus ◽  
...  
Keyword(s):  
Van Der Waals ◽  
Gold Atom ◽  
Van Der Waals Complexes ◽  
Ion Molecule Reactions ◽  
First Time

Single Au atoms within van der Waals complexes are found to serve as catalysts in ionisation-induced chemistry for the first time.

Rücktitelbild: Imaging Isolated Gold Atom Catalytic Sites in Zeolite NaY (Angew. Chem. 24/2012)

2012 ◽  
Vol 124 (24) ◽  
pp. 6120-6120
Author(s):  
Jing Lu ◽  
Ceren Aydin ◽  
Nigel D. Browning ◽  
Bruce C. Gates
Keyword(s):  
Gold Atom ◽  
Zeolite Nay ◽  
Catalytic Sites

Potential energy of an isolated gold atom on the (100) surface of alkali halide crystals

1977 ◽  
Vol 67 (1) ◽  
pp. 285-298 ◽  
Author(s):  
E.M Chan ◽  
M.J Buckingham ◽  
J.L Robins
Keyword(s):  
Potential Energy ◽  
Alkali Halide ◽  
Gold Atom ◽  
Alkali Halide Crystals
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