Theoretical Study of CO Migratory Insertion Reactions with Group 10 Metal−Alkyl and −Alkoxide Bonds

2003 ◽  
Vol 22 (22) ◽  
pp. 4547-4556 ◽  
Author(s):  
Stuart A. Macgregor ◽  
Greg W. Neave
Keyword(s):  
Theoretical Study ◽  
Insertion Reactions ◽  
Migratory Insertion ◽  
Group 10

CO and Ethylene Migratory Insertion Reactions and Copolymerization Involving Palladium Complexes of a NiN2S2Metallodithiolate Ligand

2007 ◽  
Vol 26 (4) ◽  
pp. 783-792 ◽  
Author(s):  
Marilyn V. Rampersad ◽  
Erik Zuidema ◽  
Jan Meine Ernsting ◽  
Piet W. N. M. van Leeuwen ◽  
Marcetta Y. Darensbourg
Keyword(s):  
Palladium Complexes ◽  
Insertion Reactions ◽  
Migratory Insertion

PX3-induced migratory insertion reactions of half-sandwich-type carbenerhodium(I) complexes

2001 ◽  
Vol 25 (3) ◽  
pp. 396-399 ◽  
Author(s):  
Ulrich Herber ◽  
Rita Guerrero Sanchez ◽  
Olaf Gevert ◽  
Matthias Laubender ◽  
Helmut Werner
Keyword(s):  
Insertion Reactions ◽  
Migratory Insertion ◽  
Sandwich Type ◽  
Half Sandwich

scholarly journals 1,2- and 1,1-Migratory Insertion Reactions of Silylated Germylene Adducts

Molecules ◽  
2020 ◽  
Vol 25 (3) ◽  
pp. 686
Author(s):  
Małgorzata Walewska ◽  
Judith Baumgartner ◽  
Christoph Marschner
Keyword(s):  
Insertion Reactions ◽  
Insertion Product ◽  
Migratory Insertion ◽  
Chloride Elimination ◽  
Related Reaction

The reactions of the PMe3 adduct of the silylated germylene [(Me3Si)3Si]2Ge: with GeCl2·dioxane were found to yield 1,1-migratory insertion products of GeCl2 into one or two Ge–Si bonds. In a related reaction, a germylene was inserted with tris(trimethylsilyl)silyl and vinyl substituents into a Ge–Cl bond of GeCl2. This was followed by intramolecular trimethylsilyl chloride elimination to another cyclic germylene PMe3 adduct. The reaction of the GeCl2 mono-insertion product (Me3Si)3SiGe:GeCl2Si(SiMe3)3 with Me3SiC≡CH gave a mixture of alkyne mono- and diinsertion products. While the reaction of a divinylgermylene with GeCl2·dioxane only results in the exchange of the dioxane of GeCl2 against the divinylgermylene as base, the reaction of [(Me3Si)3Si]2Ge: with one GeCl2·dioxane and three phenylacetylenes gives a trivinylated germane with a chlorogermylene attached to one of the vinyl units.

A DFT STUDY OF CO MIGRATORY INSERTION REACTIONS WITH A NEW TYPE OF GROUP 10 METAL-ALKYL AND METAL-ALKOXIDE BONDS

2012 ◽  
Vol 11 (01) ◽  
pp. 1-17 ◽  
Author(s):  
SIWEI BI ◽  
JUNFENG ZHAO ◽  
WEI FAN ◽  
PING LI
Keyword(s):  
Density Functional Theory ◽  
Dft Calculations ◽  
Density Functional ◽  
Metal Alkoxide ◽  
Insertion Reactions ◽  
Functional Theory ◽  
Step Process ◽  
Migratory Insertion ◽  
One Step ◽  
New Type

The CO migratory insertion into M–O and M–C bonds of the new model (PMe3)2M(η2 – CH2CH2O) ( M = Ni , Pd and Pt ) (model (d)) proposed in this work has been studied with the aid of density functional theory (DFT) calculations. It is found (1) when M = Ni , CO migratory insertion into Ni–C is thermodynamically and kinetically favored, and (2) when M = Pd and Pt , the insertion into M–O bond via a one-step process is preferred. Further investigation on CO migratory insertion using Pt(PMe3)2(C7H10O) (R′-Pt) derived from the experimental compound Pt(PEt3)2(C7H10O) gives the same conclusions as model (d) with M = Pt . Results obtained from the reaction of model (d) ( M = Pt ) with CO are consistent with the experimental observation that CO prefers to insert into Pt–O bond of Pt(PEt3)2(C7H10O) .

Theoretical study on the insertion reaction of CH(X2Π) with CH4

1997 ◽  
Vol 75 (7) ◽  
pp. 996-1001 ◽  
Author(s):  
Zhi-Xiang Wang ◽  
Ming-Bao Huang. ◽  
Ruo-Zhuang Liu
Keyword(s):  
Electron Correlation ◽  
Energy Surface ◽  
Theoretical Study ◽  
Reaction Path ◽  
Basis Sets ◽  
Insertion Reaction ◽  
Molecular Orbital Calculations ◽  
Insertion Reactions ◽  
Moller Plesset ◽  
Ch Radical

The CH + CH4 reaction has been studied by means of ab initio molecular orbital calculations incorporating electron correlation with Møller–Plesset perturbation theory up to second and fourth orders with the 6-31G(d,p) and 6-311++G(2d,p) basis sets. An energetically feasible insertion reaction path has been found in the potential energy surface that confirms the experimental proposal for the mechanism of the CH + CH4 reaction. The feature of the mechanism for the CH + CH4 insertion reaction is found to be different from the feature of the mechanisms for the CH + NH3, CH + H2O, and CH + HF insertion reactions, but somewhat similar to that for the CH2 + CH4 insertion reaction. Energetic results for the CH + CH4 reactions are in agreement with experiment. Keywords: CH radical, methane, reaction mechanism.

scholarly journals Unexpected Migratory Insertion Reactions of M(alkyl)2 (M=Zn, Cd) and Diamidocarbenes

2015 ◽  
Vol 21 (8) ◽  
pp. 3215-3218 ◽  
Author(s):  
Lee R. Collins ◽  
Gabriele Hierlmeier ◽  
Mary F. Mahon ◽  
Ian M. Riddlestone ◽  
Michael K. Whittlesey
Keyword(s):  
Insertion Reactions ◽  
Migratory Insertion
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