A New Class of “All-Metal” Aromatic Hydrido-Bridged Binary Coinage Metal Heterocycles. A DFT Study

ChemInform ◽  
2007 ◽  
Vol 38 (36) ◽  
Author(s):  
Athanassios C. Tsipis ◽  
Alexandros V. Stalikas
Keyword(s):  
Dft Study ◽  
Coinage Metal ◽  
New Class

A new class of “all-metal” aromatic hydrido-bridged binary coinage metal heterocycles. A DFT study

2007 ◽  
Vol 31 (6) ◽  
pp. 852-859 ◽  
Author(s):  
Athanassios C. Tsipis ◽  
Alexandros V. Stalikas
Keyword(s):  
Dft Study ◽  
Coinage Metal ◽  
New Class

A DFT study of a new class of gold nanocluster-photochrome multi-functional switches

2014 ◽  
Vol 16 (47) ◽  
pp. 26240-26251 ◽  
Author(s):  
Arnaud Fihey ◽  
François Maurel ◽  
Aurélie Perrier
Keyword(s):  
Dft Calculations ◽  
Electronic Properties ◽  
Electron Energy ◽  
Dft Study ◽  
Gold Nanocluster ◽  
New Class ◽  
Energy Transfers ◽  
Td Dft ◽  
Structural And Electronic Properties ◽  
Photochromic Molecules

The structural and electronic properties of dithienylethene photochromic molecules grafted onto a Au25 nanocluster are reviewed and electron/energy transfers are discussed with the help of (TD-)DFT calculations.

Coinage Metal–Glutathione Thiolates as a New Class of Supramolecular Hydrogelators

2008 ◽  
Vol 266 (1) ◽  
pp. 96-100 ◽  
Author(s):  
Ibon Odriozola ◽  
Nerea Ormategui ◽  
Iraida Loinaz ◽  
José A. Pomposo ◽  
Hans J. Grande
Keyword(s):  
Coinage Metal ◽  
New Class

Molecular dynamics and DFT study of 38-atom coinage metal clusters

2022 ◽  
Vol 201 ◽  
pp. 110908
Author(s):  
Oscar Alan Sanders-Gutierrez ◽  
Analila Luna-Valenzuela ◽  
Alvaro Posada-Borbón ◽  
J. Christian Schön ◽  
Alvaro Posada-Amarillas
Keyword(s):  
Molecular Dynamics ◽  
Metal Clusters ◽  
Dft Study ◽  
Coinage Metal

The Role of Weak Interactions in Strong Intermolecular M···Cl Complexes of Coinage Metal Pyrazolates: Spectroscopic and DFT Study

2016 ◽  
Vol 120 (35) ◽  
pp. 7030-7036 ◽  
Author(s):  
Aleksei A. Titov ◽  
Ekaterina A. Guseva ◽  
Oleg A. Filippov ◽  
Galina M. Babakhina ◽  
Ivan A. Godovikov ◽  
...  
Keyword(s):  
Weak Interactions ◽  
Dft Study ◽  
Coinage Metal

Coinage metalides: a new class of excess electron compounds with high stability and large nonlinear optical responses

2020 ◽  
Vol 22 (16) ◽  
pp. 8476-8484
Author(s):  
Xiang-Hui Li ◽  
Xiao-Ling Zhang ◽  
Qiao-Hong Chen ◽  
Li Zhang ◽  
Jing-Hua Chen ◽  
...  
Keyword(s):  
High Stability ◽  
Nonlinear Optical ◽  
Electron Acceptors ◽  
Excess Electron ◽  
Coinage Metal ◽  
New Class ◽  
Optical Responses ◽  
Metal Atoms ◽  
Electron Compounds

A new class of NLO molecules, termed coinage metalides, was designed by using coinage metal atoms as excess electron acceptors.

scholarly journals Clean Procedure and DFT Study for the Synthesis of 2-Amino-3-ethoxycarbonyl-4-(aryl)-4H-pyrano-[3,2-c]-chromene-5-ones Derivatives: A Novel Class of Potential Antimicrobial and Antioxidant Agents

2013 ◽  
Vol 2013 ◽  
pp. 1-9
Author(s):  
R. Medyouni ◽  
N. Hamdi ◽  
R. Ben Said ◽  
A. S. Al-Ayed ◽  
Fethi Zagrouba
Keyword(s):  
Antibacterial Activity ◽  
Nmr Spectra ◽  
Antioxidant Activities ◽  
Dft Study ◽  
New Class ◽  
Antioxidant Agents ◽  
Two Component ◽  
C Nmr

2-Amino-3-ethoxycarbonyl-4-(aryl)-4H-pyrano-[3,2-c]-chromene-5-ones5is synthesized by the two-component reaction of 4-hydroxycouamrin with ethyl-2-cyano-3-(aryl) acrylate3. The structures of the obtained compounds are confirmed by analytical IR,1H, and13C-NMR spectra to elucidate the different positions of protons and carbons and as well as theoretic studies (DFT/B3LYP). All the newly synthesized compounds are screened for their antibacterial. Furthermore, these compounds showed antioxidant activities of different extents with respect to individual compounds as well as to the antioxidant methods. The compounds5a–ewere found to be the most active antioxidant in the series then Trolox, which makes the investigated complexes a promising new class of antibacterial activity compounds.

In Situ microscopy of the anodic etching of silicon

1995 ◽  
Vol 53 ◽  
pp. 232-233
Author(s):  
Frances M. Ross ◽  
Peter C. Searson
Keyword(s):  
Composite Structures ◽  
High Surface ◽  
High Surface Area ◽  
Chemical Properties ◽  
Selective Etching ◽  
Silicon On Insulator ◽  
Second Phase ◽  
Porous Layers ◽  
New Class ◽  
Porous Semiconductors

Porous semiconductors represent a relatively new class of materials formed by the selective etching of a single or polycrystalline substrate. Although porous silicon has received considerable attention due to its novel optical properties1, porous layers can be formed in other semiconductors such as GaAs and GaP. These materials are characterised by very high surface area and by electrical, optical and chemical properties that may differ considerably from bulk. The properties depend on the pore morphology, which can be controlled by adjusting the processing conditions and the dopant concentration. A number of novel structures can be fabricated using selective etching. For example, self-supporting membranes can be made by growing pores through a wafer, films with modulated pore structure can be fabricated by varying the applied potential during growth, composite structures can be prepared by depositing a second phase into the pores and silicon-on-insulator structures can be formed by oxidising a buried porous layer. In all these applications the ability to grow nanostructures controllably is critical.

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