Producción Científica Profesorado

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



Zuno Cruz, Francisco Javier

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 Padilla, Martín Hernández, Arián E. Roa, Celia Maya, Marco A. Leyva, María J. Rosales-Hoz, Pandiyan Thangarasu. J. Organomet. Chem. (2011), 696, 3, 748-757. 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

Pentacoordination at Germanium by Transannular Bonding of Sulfur or Oxygen in an Eight-Membered Ring...

Hypervalence at tin(IV) by transannular bonding of sulfur in an eight-membered ring: The case of dib...

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

Synthesis and structural characterization of bis-chelate Pd(II) complexes derived from substituted d...

Synthesis, Characterisation and Properties of As-Monohalogenated Dibenzoarsocines S(C6H4S)2AsHal (Ha...

Boron and transition metal compounds derived from 2-uroylbenzimidazole

Organometallic tin complexes derived from 2-guanidinobenzimidazole

Hypervalence at tin(IV) by transannular bonding of sulfur in an eight-membered ring: The case of dib...

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

Six-membered ring chelate complexes of Pd(II) and Pt(II) derived from di-(2-pyridyl)pyrimidin-2-ylsu...