Insight into the Reaction Mechanisms of (MeC5H4)3U with Isoelectronic Heteroallenes CS2, COS, PhN3, and PhNCO by DFT Studies: A Unique Pathway that Involves Bimetallic Complexes

2012 ◽  
Vol 18 (21) ◽  
pp. 6610-6615 ◽  
Author(s):  
Ludovic Castro ◽  
Laurent Maron
Keyword(s):  
Reaction Mechanisms ◽  
Bimetallic Complexes ◽  
Dft Studies ◽  
Insight Into

The emerging molecular structure of the nitrogen cycle: an introduction to the proceedings of the 10th annual N-cycle meeting

2005 ◽  
Vol 33 (1) ◽  
pp. 113-118 ◽  
Author(s):  
C.S. Butler ◽  
D.J. Richardson
Keyword(s):  
Structural Biology ◽  
Nitrogen Cycle ◽  
Reaction Mechanisms ◽  
Spectroscopic Analysis ◽  
Three Dimensional ◽  
Chemical Transformations ◽  
Redox Active ◽  
Active Metal ◽  
Insight Into ◽  
Redox Active Metal

Over the last 10 years, during the lifetime of the nitrogen cycle meetings, structural biology, coupled with spectroscopy, has had a major impact of our understanding enzymology of the nitrogen cycle. The three-dimensional structures for many of the key enzymes have now been resolved and have provided a wealth of information regarding the architecture of redox active metal sites, as well as revealing novel structural folds. Coupled with structure-based spectroscopic analysis, this has led to new insight into the reaction mechanisms of the diverse chemical transformations that together cycle nitrogen in the biosphere. An overview of the some of the key developments in field over the last decade is presented.

scholarly journals Arenium cation or radical cation? An insight into the cyclodehydrogenation reaction of 2-substituted binaphthyls mediated by Lewis acids

RSC Advances ◽  
2020 ◽  
Vol 10 (37) ◽  
pp. 21974-21985
Author(s):  
Patricia Camargo Solórzano ◽  
María T. Baumgartner ◽  
Marcelo Puiatti ◽  
Liliana B. Jimenez
Keyword(s):  
Radical Cation ◽  
Lewis Acid ◽  
Reaction Mechanisms ◽  
Lewis Acids ◽  
Acid Synthesis ◽  
Theoretical Studies ◽  
Insight Into

Cyclodehydrogenation reactions of 2-substituted binaphthyls induced by a Lewis acid. Synthesis and theoretical studies of the reaction mechanisms.

Novel tetrahydroisoquinoline based organocatalysts for asymmetric Diels–Alder reactions: insight into the catalytic mode using ROESY NMR and DFT studies

2010 ◽  
Vol 21 (23) ◽  
pp. 2859-2867 ◽  
Author(s):  
Tricia Naicker ◽  
Katja Petzold ◽  
Thishana Singh ◽  
Per I. Arvidsson ◽  
Hendrik G. Kruger ◽  
...  
Keyword(s):  
Diels Alder ◽  
Dft Studies ◽  
Insight Into

Novel Intramolecular CAryl–S Bond Activation by an Electron Rich, Ring-Expanded-NHC-Rh centre: A Combined Experimental and DFT Study

2011 ◽  
Vol 64 (8) ◽  
pp. 1141 ◽  
Author(s):  
Abeer Binobaid ◽  
Kingsley J. Cavell ◽  
Mikhail S. Nechaev ◽  
Benson M. Kariuki
Keyword(s):  
Bond Activation ◽  
Reaction Pathway ◽  
Heterocyclic Carbenes ◽  
Dft Study ◽  
Dft Studies ◽  
X Ray ◽  
Carbene Complex ◽  
Donor Capacity ◽  
Insight Into ◽  
Sulfur Bond

The reaction of (o-MeSPh)-N-functionalized tetrahydropyrimidinium salts with KN(SiMe3)2 and [Rh(COD)Cl]2 in THF leads to the formation of a novel dimeric RhIII bis-carbene complex. The reaction involves the unexpected cleavage/oxidative addition of the aryl-sulfur bond to give dimeric metallated RhIII with bridging MeS< moieties. This unusual reaction is probably a consequence of the sterically imposing structure and strong donor capacity of ring-expanded N-heterocyclic carbenes (RE-NHCs). An X-ray structure of the [(Ph,DIPP-NHC)Rh(Cl)(SMe)2] product complex has been obtained, and DFT studies were undertaken to gain an insight into the reaction pathway.

scholarly journals A theoretical insight into the reaction mechanisms of a 2,4,6-trinitrotoluene nitroso metabolite with thiols for toxic effects

2019 ◽  
Vol 8 (2) ◽  
pp. 270-276 ◽  
Author(s):  
Yang Zhou ◽  
Xiaoqiang Liu ◽  
Weidong Jiang ◽  
Yuanjie Shu ◽  
Guojun Xu
Keyword(s):  
Environmental Protection ◽  
Environmental Protection Agency ◽  
Reaction Mechanisms ◽  
Toxic Effects ◽  
Protection Agency ◽  
Class C ◽  
Theoretical Insight ◽  
Insight Into

2,4,6-Trinitrotoluene (TNT) is a class C carcinogen as rated by the Environmental Protection Agency.

Laser Chemical Etching of Conducting and Semiconducting Materials

1982 ◽  
Vol 17 ◽  
Author(s):  
T. J. Chuang
Keyword(s):  
Material Processing ◽  
Laser Radiation ◽  
Reaction Mechanisms ◽  
Chemical Etching ◽  
Surface Reaction ◽  
Semiconducting Materials ◽  
Laser Method ◽  
Experimental Approaches ◽  
Product Species ◽  
Insight Into

ABSTRACTThe purpose of the paper is to examine the basic processes involved in the laser-enhanced chemical etching of solids. Specifically, the process of chemisorption, the reaction between the adsorbate and substrate atoms and the vaporization of product species affected by the laser radiation are discussed. It is shown that the laser method can provide important insight into the gas-surface reaction mechanisms. In addition, a number of examples are given to demonstrate the potential of the technique for applications to material processing. Some current studies on the laser-induced chemical etching of materials relevant to microelectronics are reviewed. Certain practical experimental approaches are also considered.

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