Theoretical studies of oxidative addition and reductive elimination: hydrogen + diphosphineplatinum .fwdarw. dihydridodiphosphineplatinum

1984 ◽  
Vol 106 (23) ◽  
pp. 6928-6937 ◽  
Author(s):  
John J. Low ◽  
William A. Goddard
Keyword(s):  
Oxidative Addition ◽  
Reductive Elimination ◽  
Theoretical Studies

Reversible Oxidative-Addition and Reductive-Elimination of Thiophene from a Titanium Complex and Its Thermally-Induced Hydrodesulfurization Chemistry

2019 ◽  
Author(s):  
Alejandra Gomez-Torres ◽  
J. Rolando Aguilar-Calderón ◽  
Carlos Saucedo ◽  
Aldo Jordan ◽  
Alejandro J. Metta-Magaña ◽  
...  
Keyword(s):  
Dft Calculations ◽  
Ring Opening ◽  
Thiophene Ring ◽  
Oxidative Addition ◽  
Reductive Elimination ◽  
Thermally Induced ◽  
Titanium Complex

<p>The masked Ti(II) synthon (<sup>Ket</sup>guan)(<i>η</i><sup>6</sup>-Im<sup>Dipp</sup>N)Ti (<b>1</b>) oxidatively adds across thiophene to give ring-opened (<sup>Ket</sup>guan)(Im<sup>Dipp</sup>N)Ti[<i>κ</i><sup>2</sup>-<i>S</i>(CH)<sub>3</sub><i>C</i>H] (<b>2</b>). Complex <b>2</b> is photosensitive, and upon exposure to light, reductively eliminates thiophene to regenerate <b>1</b> – a rare example of early-metal mediated oxidative-addition/reductive-elimination chemistry. DFT calculations indicate strong titanium π-backdonation to the thiophene π*-orbitals leads to the observed thiophene ring opening across titanium, while a proposed photoinduced LMCT promotes the reverse thiophene elimination from <b>2</b>. Finally, pressurizing solutions of <b>2 </b>with H<sub>2</sub> (150 psi) at 80 °C leads to the hydrodesulfurization of thiophene to give the Ti(IV) sulfide (<sup>Ket</sup>guan)(Im<sup>Dipp</sup>N)Ti(S) (<b>3</b>) and butane. </p>

Experimental and theoretical studies on the oxidative addition of palladium(0) to β-chlorovinamidinium salts

Tetrahedron ◽  
2001 ◽  
Vol 57 (24) ◽  
pp. 5061-5066 ◽  
Author(s):  
Ian W Davies ◽  
Jimmy Wu ◽  
Jean-François Marcoux ◽  
Mark Taylor ◽  
David Hughes ◽  
...  
Keyword(s):  
Oxidative Addition ◽  
Theoretical Studies ◽  
Experimental And Theoretical Studies

Interconversion of Quadruply and Quintuply Bonded Molybdenum Complexes by Reductive Elimination and Oxidative Addition of Dihydrogen

2013 ◽  
Vol 125 (11) ◽  
pp. 3309-3313 ◽  
Author(s):  
Mario Carrasco ◽  
Natalia Curado ◽  
Celia Maya ◽  
Riccardo Peloso ◽  
Amor Rodríguez ◽  
...  
Keyword(s):  
Oxidative Addition ◽  
Reductive Elimination ◽  
Molybdenum Complexes
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