The role of electron localization in the atomic structure of transition-metal 13-atom clusters: the example of Co13, Rh13, and Hf13

2011 ◽  
Vol 13 (38) ◽  
pp. 17242 ◽  
Author(s):  
Maurício J. Piotrowski ◽  
Paulo Piquini ◽  
Ladir Cândido ◽  
Juarez L. F. Da Silva
Keyword(s):  
Transition Metal ◽  
Atomic Structure ◽  
Electron Localization ◽  
Atom Clusters

scholarly journals Conversion of Methanol on Rutile TiO2 (110) and Tungsten Oxide Clusters: 2. The Role of Defects and Electron Transfer in Bifunctional Oxidic Photocatalysts

2021 ◽  
Author(s):  
Lars Mohrhusen ◽  
Jessica Kräuter ◽  
Katharina Al-Shamery
Keyword(s):  
Electron Transfer ◽  
Transition Metal ◽  
Metal Oxide ◽  
Tungsten Oxide ◽  
Organic Compounds ◽  
Uv Irradiation ◽  
Organic P ◽  
Rutile Tio2 ◽  
Metal Oxide Surfaces

The photochemical conversion of organic compounds on tailored transition metal oxide surfaces by (UV) irradiation has found wide applications ranging from the production of chemicals to the degradation of organic...

scholarly journals The role of nitrogen in transition-metal nitrides in electrochemical water splitting

2021 ◽  
Author(s):  
Rabia Jamil ◽  
Rashad Ali ◽  
Suraj Loomba ◽  
Jian Xian ◽  
Muhammad Yousaf ◽  
...  
Keyword(s):  
Transition Metal ◽  
Water Splitting ◽  
Metal Nitrides ◽  
Transition Metal Nitrides ◽  
Electrochemical Water Splitting

scholarly journals On the Coordination Role of Pyridyl-Nitrogen in the Structural Chemistry of Pyridyl-Substituted Dithiocarbamate Ligands

Crystals ◽  
2021 ◽  
Vol 11 (3) ◽  
pp. 286
Author(s):  
Edward R.T. Tiekink
Keyword(s):  
Transition Metal ◽  
Main Group ◽  
Group Element ◽  
Systematic Research ◽  
Pyridyl Nitrogen ◽  
General Observation ◽  
Supramolecular Architectures ◽  
Main Group Element ◽  
Metal Dithiocarbamates

A search of the Cambridge Structural Database was conducted for pyridyl-substituted dithiocarbamate ligands. This entailed molecules containing both an NCS2− residue and pyridyl group(s), in order to study their complexation behavior in their transition metal and main group element crystals, i.e., d- and p-block elements. In all, 73 different structures were identified with 30 distinct dithiocarbamate ligands. As a general observation, the structures of the transition metal dithiocarbamates resembled those of their non-pyridyl derivatives, there being no role for the pyridyl-nitrogen atom in coordination. While the same is true for many main group element dithiocarbamates, a far greater role for coordination of the pyridyl-nitrogen atoms was evident, in particular, for the heavier elements. The participation of pyridyl-nitrogen in coordination often leads to the formation of dimeric aggregates but also one-dimensional chains and two-dimensional arrays. Capricious behaviour in closely related species that adopted very different architectures is noted. Sometimes different molecules comprising the asymmetric-unit of a crystal behave differently. The foregoing suggests this to be an area in early development and is a fertile avenue for systematic research for probing further crystallization outcomes and for the rational generation of supramolecular architectures.

The Role of Transition Metal Ions in Ascorbate-Induced Cytotoxicity in Pancreatic Cancer

2014 ◽  
Vol 76 ◽  
pp. S124
Author(s):  
Juan Du ◽  
Brett A Wagner ◽  
Garry R Buettner ◽  
Joseph J Cullen
Keyword(s):  
Pancreatic Cancer ◽  
Transition Metal ◽  
Metal Ions ◽  
Transition Metal Ions

Role of population analysis in LCAO-MO theory of transition-metal clusters

1975 ◽  
Vol 25 (11) ◽  
pp. 1201-1207 ◽  
Author(s):  
J. Málek ◽  
R. A. Evarestov ◽  
A. N. Ermoshkin ◽  
B. Hejda ◽  
K. Polák
Keyword(s):  
Transition Metal ◽  
Metal Clusters ◽  
Population Analysis ◽  
Transition Metal Clusters ◽  
Lcao Mo Theory ◽  
Lcao Mo ◽  
Mo Theory

CHARGE DENSITY WAVE TRANSITIONS IN TWO-DIMENSIONAL TRANSITION METAL BRONZES AND OXIDES

1993 ◽  
Vol 07 (23n24) ◽  
pp. 3973-4003 ◽  
Author(s):  
P. FOURY ◽  
J.P. POUGET
Keyword(s):  
Transition Metal ◽  
Charge Density ◽  
Ground State ◽  
Charge Density Wave ◽  
Density Wave ◽  
Electron Localization ◽  
Two Dimensional ◽  
Fermi Surfaces ◽  
A Charge ◽  
Structural Instabilities

The structural instabilities towards the formation of a charge density wave (CDW) ground state exhibited by several layered Mo and W bronzes and oxides are reviewed. It is shown that in these two-dimensional (2D) metals, including the purple bronzes A x Mo 6 O 17 (A=K, Na, Tl; x≈1), the γ and η phases of MO 4 O 11 and the monophosphate tungsten bronzes with pentagonal tunnels ( PO 2)4 ( WO 3)2m(m=4, 6, 7), the CDW instability can be associated with particular chains of MoO 6 or WO 6 octahedra of the ReO 3 type slabs along which there is a strong overlap of the t 2g orbitals. The CDW critical wave vectors of the purple bronzes, Mo 4 O 11 and the tungsten bronzes with m=4 and 6 lead to a common nesting between differently oriented 1D Fermi surfaces. It is suggested that the anharmonic CDW modulation, which occurs in the tungsten bronzes with m≥7, could be the structural fingerprint of electron localization effects.

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