C-H-ortho center dot center dot center dot Pd interactions in palladium complexes derived from tetrasulfur-difluorinated ligands. Experimental, computational and catalytic studies
Por:
Gonzalez-Montiel, Simplicio, Ignacio Sandoval-Chavez, Cesar, Munoz-Granados, Oscar, Martinez-Otero, Diego, Manuel Vasquez-Perez, J., Cruz-Borbolla, Julian, Velazquez-Jimenez, Rene, Lopez, Jorge A.
Publicada:
15 nov 2019
Resumen:
The symmetric ligands [Ar-S-CH2-Ph-S-(CH2)-](2), L1 (Ar = o-FPh) and
L2 (Ar = p-FPh), and their Pd-II complexes (1 and 2) were synthesized
and structurally characterized. Molecular structures of complexes 1 and
2 display the L1 and 1,2 ligands coordinating palladium in a kappa(2)-SS
bidentate fashion. The metal center exhibits a square planar geometry
involving the two sulfur atoms and two chloride atoms which are oriented
in cis disposition. Interestingly, the two ortho-hydrogen atoms from the
phenyl rings in both complexes are engaged in Pd center dot center dot
center dot H-ortho interactions with distances from 2.976 to 3.280
angstrom. These distances can suffer an increase or decrease in their
longitude due to the presence of intramolecular C-H center dot center
dot center dot pi interactions. Additionally, the presence of Pd center
dot center dot center dot H interactions in palladium complexes (1 and
2) were identified by an NCI analysis. The complexes 1, 2 and a similar
complex 3 that also displays Pd center dot center dot center dot H-ortho
interactions have been evaluated in the Suzuki-Miyaura cross-coupling
reactions. (C) 2019 Elsevier Ltd. All rights reserved.
Filiaciones:
Gonzalez-Montiel, Simplicio:
Univ Autonoma Estado Hidalgo, Ctr Invest Quim, Area Acad Quim, Km 4-5 Carretera Pachuca Tulancingo, Mineral De La Reforma 42184, Hidalgo, Mexico
Ignacio Sandoval-Chavez, Cesar:
Univ Autonoma Estado Hidalgo, Mineral De La Reforma 42184, Hidalgo, Mexico
Munoz-Granados, Oscar:
Univ Autonoma Estado Hidalgo, Ctr Invest Quim, Area Acad Quim, Km 4-5 Carretera Pachuca Tulancingo, Mineral De La Reforma 42184, Hidalgo, Mexico
Martinez-Otero, Diego:
UNAM, UAEM, Ctr Conjunto Invest Quim Sustentable, Carretera Toluca Atlacomulco Km 14-5, Toluca 50200, Estado De Mexic, Mexico
Manuel Vasquez-Perez, J.:
Univ Autonoma Estado Hidalgo, Mineral De La Reforma 42184, Hidalgo, Mexico
Cruz-Borbolla, Julian:
Univ Autonoma Estado Hidalgo, Ctr Invest Quim, Area Acad Quim, Km 4-5 Carretera Pachuca Tulancingo, Mineral De La Reforma 42184, Hidalgo, Mexico
Velazquez-Jimenez, Rene:
Univ Autonoma Estado Hidalgo, Ctr Invest Quim, Area Acad Quim, Km 4-5 Carretera Pachuca Tulancingo, Mineral De La Reforma 42184, Hidalgo, Mexico
Lopez, Jorge A.:
Univ Guanajuato, Dept Quim, Div CNE, Sede Noria Alta, Noria Alta S-N, Guanajuato 36050, Mexico
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