Metal Alkyls with Alkylidynic Metal‐Carbon Bond Character: Key Electronic Structures in Alkane Metathesis Precatalysts

2020 ◽  
Vol 132 (18) ◽  
pp. 7101-7107
Author(s):  
Christopher P. Gordon ◽  
Christophe Copéret
Keyword(s):  
Electronic Structures ◽  
Carbon Bond ◽  
Alkane Metathesis ◽  
Bond Character ◽  
Metal Alkyls

Evaluation of the Carbene Hydride Mechanism in the Carbon−Carbon Bond Formation Process of Alkane Metathesis through a DFT Study

2008 ◽  
Vol 130 (25) ◽  
pp. 7984-7987 ◽  
Author(s):  
Sandra Schinzel ◽  
Henry Chermette ◽  
Christophe Copéret ◽  
Jean-Marie Basset
Keyword(s):  
Formation Process ◽  
Bond Formation ◽  
Dft Study ◽  
Carbon Bond ◽  
Alkane Metathesis ◽  
Carbon Carbon Bond

scholarly journals 2-(6-Bromobenzo[d]thiazol-2-yl)-5,5-dimethylthiazol-4(5H)-one

2013 ◽  
Vol 69 (12) ◽  
pp. o1821-o1821
Author(s):  
Hendryk Würfel ◽  
Helmar Görls ◽  
Dieter Weiss ◽  
Rainer Beckert
Keyword(s):  
Molecular Structure ◽  
Double Bond ◽  
Torsion Angle ◽  
Title Compound ◽  
Carbon Bond ◽  
Double Bond Character ◽  
Compound C ◽  
Carbon Carbon Bond ◽  
Bond Character ◽  
Reflux Temperature

The title compound, C12H9BrN2OS2, was obtained by reacting 6-bromobenzo[d]thiazole-2-carbonitrile iniso-propanol with ethyl 2-mercapto-2-methylpropanoate at reflux temperature for several hours. The resulting dimethyloxyluciferin derivative shows partial double-bond character of the carbon–carbon bond between the two heterocyclic moieties [C—C = 1.461 (3) Å]. This double bond restricts rotation around this C—C axis, therefore leading to an almost planar molecular structure [N—C—C—S torsion angle = 9.7 (3)°]. The five-membered thiazoline ring is not completely planar as a result of the bulky S atom [C—S—C—C torsion angle = 5.17 (12)°].

The Nature of Oxide Surfaces: Topographic and Electronic Structure

1993 ◽  
Vol 51 ◽  
pp. 966-967
Author(s):  
Dawn A. Bonnell ◽  
Yong Liang
Keyword(s):  
Transition Metal Oxides ◽  
Electronic Structures ◽  
Recent Progress ◽  
Spatial Localization ◽  
Level Of Detail ◽  
Scanning Tunneling ◽  
Oxide Surfaces ◽  
Tunneling Microscopy ◽  
Considerable Effort ◽  
Complete Understanding

Recent progress in the application of scanning tunneling microscopy (STM) and tunneling spectroscopy (STS) to oxide surfaces has allowed issues of image formation mechanism and spatial resolution limitations to be addressed. As the STM analyses of oxide surfaces continues, it is becoming clear that the geometric and electronic structures of these surfaces are intrinsically complex. Since STM requires conductivity, the oxides in question are transition metal oxides that accommodate aliovalent dopants or nonstoichiometry to produce mobile carriers. To date, considerable effort has been directed toward probing the structures and reactivities of ZnO polar and nonpolar surfaces, TiO2 (110) and (001) surfaces and the SrTiO3 (001) surface, with a view towards integrating these results with the vast amount of previous surface analysis (LEED and photoemission) to build a more complete understanding of these surfaces. However, the spatial localization of the STM/STS provides a level of detail that leads to conclusions somewhat different from those made earlier.

Carbon Dioxide-Mediated C(sp2)–H Arylation of Primary and Secondary Benzylamines

2018 ◽  
Author(s):  
Mohit Kapoor ◽  
Pratibha Chand-Thakuri ◽  
Michael Young
Keyword(s):  
Carbon Dioxide ◽  
Transition Metal ◽  
Bond Activation ◽  
Bond Formation ◽  
Carbon Bond ◽  
Chelate Effect ◽  
Free Amine ◽  
Carbon Carbon Bond ◽  
New Strategy ◽  
Metal Catalyzed

Carbon-carbon bond formation by transition metal-catalyzed C–H activation has become an important strategy to fabricate new bonds in a rapid fashion. Despite the pharmacological importance of <i>ortho</i>-arylbenzylamines, however, effective <i>ortho</i>-C–C bond formation from C–H bond activation of free primary and secondary benzylamines using Pd<sup>II</sup> remains an outstanding challenge. Presented herein is a new strategy for constructing <i>ortho</i>-arylated primary and secondary benzylamines mediated by carbon dioxide (CO<sub>2</sub>). The use of CO<sub>2</sub> is critical to allowing this transformation to proceed under milder conditions than previously reported, and that are necessary to furnish free amine products that can be directly used or elaborated without the need for deprotection. In cases where diarylation is possible, a chelate effect is demonstrated to facilitate selective monoarylation.

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