Producción Científica Profesorado

Reactivity of TpMe2Ir(C2H4)(DMAD) with carboxylic acids. A DFT study on geometrical isomers and structural characterization



Cruz Borbolla, Julian

2011

Reactivity of TpMe2Ir(C2H4)(DMAD) with carboxylic acids. A DFT study on geometrical isomers and structural characterization. Verónica Salazar, Gloria Sánchez-Cabrera, Francisco J. Zuno-Cruz, Oscar R. Suárez-Castillo, Julián Cruz, Rosa M. Padilla, Martín Hernández, Arián Espinosa, Celia M. Maya, Marco A. Leyva, and María J. Rosales-Hoz. Journal of Organometallic Chemistry 696, 748-757 (2011). ISSN: 0022-328X doi:10.1016/j.jorganchem.2010.09.073


Abstract


The thermally unstable adduct TpMe2Ir(C2H4)(DMAD), which was generated in situ by the reaction of DMAD with TpMe2Ir(C2H4)2 (1) at low temperature, reacted with different carboxylic acids to produce the following compounds: TpMe2Ir(E-C(CO2Me)double bond; length as m-dashCH(CO2Me))(H2O)(OC(O)C6H4R), (R = H, 2a; o-OH, 2b; o-Cl, 2c; m-Cl, 2d; o-NO2, 2e; m-NO2, 2f;o-Me, 2g;p-Me, 2h) and TpMe2Ir(E-C(CO2Me)double bond; length as m-dashCH(CO2Me))(H2O)(OC(O)Me) 3. In the reaction of derivative 2a with Lewis bases, TpMe2Ir(E-C(CO2Me)double bond; length as m-dashCH(CO2Me))(L)(OC(O)C6H5), (L = Py, 4a; m-BrPy, 4b; m-ClPy, 4c; NCMe, 5) were obtained, of which 4b and 4c were isolated as a mixture of two isomers in which the substituted pyridine ring was present at different rotational orientations. All new compounds prepared were characterized by 1H and 13C{1H} NMR spectroscopy, the structure of compounds 2d, 2h and 4a being determined by X-ray diffraction analysis. DFT was used to analyze the relative stability and the structural orientation of the isomers.






Artículos relacionados

Study on the intramolecular transannular chalcogentin interactions in dithiastannecine compounds.

Five-membered ring chelate complexes of Ni(II), Pd(II) and Pt(II) derived of di-(2-pyridyl)-N-ethyli...

Structural differences in eight- and ten-membered heterocyclic tin compounds displaying transannular...

Synthesis, characterization and crystal structures of organolead dithiolate compounds displaying tra...

Mild Oxidation of C?C Bonds of Benzoiridacycles

Study of the D?Sb (D = O, S) Transannular Interaction in Sb-Monohalogenated Dibenzostibocines ? An E...

Ni(II) and Pd(II) organometallic and coordination complexes with a new tridentate N,N,O-donor ligand...

Synthesis and Spectroelectrochemical Studies of Mixed Heteroleptic Chelate Complexes of Ruthenium(II...

cis-Palladium(II) complexes of derivatives of di-(2-pyridyl)methane: Study of the influence of the b...

Synthesis and crystal structures of cis-palladium(II) and cis-platinum(II) complexes containing dipy...