Synthesis, Dynamics, and DFT Studies of Rhenium Dicarbonyl PNN Pincer Complexes in Three Different Oxidation States

2014 ◽  
Vol 33 (7) ◽  
pp. 1672-1677 ◽  
Author(s):  
Kothanda Rama Pichaandi ◽  
Michael G. Mazzotta ◽  
John S. Harwood ◽  
Phillip E. Fanwick ◽  
Mahdi M. Abu-Omar
Keyword(s):  
Oxidation States ◽  
Pincer Complexes ◽  
Dft Studies

Monoanionic bis(carbene) pincer complexes featuring cobalt(I–III) oxidation states

2016 ◽  
Vol 45 (24) ◽  
pp. 9805-9811 ◽  
Author(s):  
Abdulrahman D. Ibrahim ◽  
Kenan Tokmic ◽  
Marshall R. Brennan ◽  
Dongyoung Kim ◽  
Ellen M. Matson ◽  
...  
Keyword(s):  
Cobalt Complexes ◽  
Oxidation States ◽  
Pincer Complexes ◽  
Synthesis And Characterization

The synthesis and characterization of a series of cobalt complexes featuring a pincer bis(carbene) ligand of the meta-phenylene-bridged bis-N-heterocyclic carbene (ArCCC, Ar = 2,6-diispropylphenyl or mesityl) are reported.

Iron PCP Pincer Complexes in Three Oxidation States: Reversible Ligand Protonation To Afford an Fe(0) Complex with an Agostic C–H Arene Bond

2018 ◽  
Vol 57 (13) ◽  
pp. 7925-7931 ◽  
Author(s):  
Daniel Himmelbauer ◽  
Matthias Mastalir ◽  
Berthold Stöger ◽  
Luis F. Veiros ◽  
Marc Pignitter ◽  
...  
Keyword(s):  
Oxidation States ◽  
Pincer Complexes ◽  
Pcp Pincer

Ligand K-edge XAS, DFT, and TDDFT analysis of pincer linker variations in Rh(i) PNP complexes: reactivity insights from electronic structure

2016 ◽  
Vol 45 (24) ◽  
pp. 9774-9785 ◽  
Author(s):  
Kyounghoon Lee ◽  
Haochuan Wei ◽  
Anastasia V. Blake ◽  
Courtney M. Donahue ◽  
Jason M. Keith ◽  
...  
Keyword(s):  
Electronic Structure ◽  
Small Molecule ◽  
Pincer Complexes ◽  
Dft Studies

Ligand K-edge XAS and DFT studies of ligand variations in Rh(i) pincer complexes and correlations to small molecule reactivity.

Experimental and DFT Studies of Metal Pincer Complexes: An Insight on Structures and Bonding

2021 ◽  
pp. 130725
Author(s):  
Pratidnya Shendge ◽  
Shailza Sharma ◽  
Minati Baral ◽  
B K Kanungo
Keyword(s):  
Pincer Complexes ◽  
Dft Studies

scholarly journals Cr(II) and Cr(I) PCP Pincer Complexes: Synthesis, Structure, and Catalytic Reactivity

2019 ◽  
Author(s):  
Daniel Himmelbauer ◽  
Berthold Stöger ◽  
Luis F. Veiros ◽  
Marc Pignitter ◽  
Karl Kirchner
Keyword(s):  
Oxidation States ◽  
Pincer Complexes ◽  
Square Planar ◽  
Catalytic Reactivity ◽  
Pcp Pincer

<p>We report the synthesis of the square-planar Cr(II) PCP complex [Cr(POCOP-<i>t</i>Bu)(Br)] which is a valuable precursor for novel chromium borohydride PCP pincer complexes in formal oxidation states +I and +II. <b><br></b></p>

scholarly journals Cr(II) and Cr(I) PCP Pincer Complexes: Synthesis, Structure, and Catalytic Reactivity

2019 ◽  
Author(s):  
Daniel Himmelbauer ◽  
Berthold Stöger ◽  
Luis F. Veiros ◽  
Marc Pignitter ◽  
Karl Kirchner
Keyword(s):  
Oxidation States ◽  
Pincer Complexes ◽  
Square Planar ◽  
Catalytic Reactivity ◽  
Pcp Pincer

<p>We report the synthesis of the square-planar Cr(II) PCP complex [Cr(POCOP-<i>t</i>Bu)(Br)] which is a valuable precursor for novel chromium borohydride PCP pincer complexes in formal oxidation states +I and +II. <b><br></b></p>

MicroEXAFS study into the oxidation states of copper coloured Hispano-Moresque lustre decorations

2003 ◽  
Vol 104 ◽  
pp. 519-522 ◽  
Author(s):  
A. D. Smith ◽  
T. Pradell ◽  
J. Molera ◽  
M. Vendrell ◽  
M. A. Marcus ◽  
...  
Keyword(s):  
Oxidation States

Stereodivergent Alkyne Hydrofluorination Using a Simple Practical Reagent

2020 ◽  
Author(s):  
Rui Guo ◽  
Xiaotian Qi ◽  
Hengye Xiang ◽  
Paul Geaneoates ◽  
Ruihan Wang ◽  
...  
Keyword(s):  
Bond Formation ◽  
Biologically Active ◽  
Dft Studies ◽  
Thermodynamic Control ◽  
Important Goal ◽  
Peptide Bonds ◽  
Metal Free ◽  
Vinyl Cation ◽  
E And Z Isomers ◽  
Vinyl Fluorides

Vinyl fluorides play an important role in drug development as they serve as bioisosteres for peptide bonds and are found in a range of biologically active molecules. The discovery of safe, general and practical procedures to prepare vinyl fluorides remains an important goal and challenge for synthetic chemistry. Here we introduce an inexpensive and easily-handled reagent and report simple, scalable, and metal-free protocols for the regioselective and stereodivergent hydrofluorination of alkynes to access both the E and Z isomers of vinyl fluorides. These conditions were suitable for a diverse collection of alkynes, including several highly-functionalized pharmaceutical derivatives. Mechanistic and DFT studies support C–F bond formation through a vinyl cation intermediate, with the (E)- and (Z)-hydrofluorination products forming under kinetic and thermodynamic control, respectively.<br>

Copper Catalyzed sp3 C-H α-Acetylation

2019 ◽  
Author(s):  
Otome Okoromoba ◽  
Eun Sil Jang ◽  
Claire McMullin ◽  
Thomas Cundari ◽  
Timothy H. Warren
Keyword(s):  
Natural Products ◽  
Dft Studies ◽  
Alkyl Radicals ◽  
Important Chemical ◽  
Alkyl Electrophiles ◽  
Synthetic Intermediates ◽  
Alkylation Reactions

<p>α-substituted ketones are important chemical targets as synthetic intermediates as well as functionalities in in natural products and pharmaceuticals. We report the sp<sup>3</sup> C-H α-acetylation of sp<sup>3</sup> C-H substrates R-H with arylmethyl ketones ArC(O)Me to provide α-alkylated ketones ArC(O)CH<sub>2</sub>R at RT with <sup>t</sup>BuOO<sup>t</sup>Bu as oxidant via copper(I) β-diketiminato catalysts. Proceeding via alkyl radicals R•, this method enables α-substitution with bulky substituents without competing elimination that occurs in more traditional alkylation reactions between enolates and alkyl electrophiles. DFT studies suggest the intermediacy of copper(II) enolates [Cu<sup>II</sup>](CH<sub>2</sub>C(O)Ar) that capture alkyl radicals R• to give R-CH<sub>2</sub>C(O)Ar under competing dimerization of the copper(II) enolate to give the 1,4-diketone ArC(O)CH<sub>2</sub>CH<sub>2</sub>C(O)Ar.</p>

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