C–H ⋯Pd interactions in palladium complexes derived from tetrasulfur-difluorinated ligands. Experimental, computational and catalytic studies
| Autor: | J. Manuel Vásquez-Pérez, Diego Martínez-Otero, Simplicio González-Montiel, César Ignacio Sandoval-Chávez, Julián Cruz-Borbolla, René Velázquez-Jiménez, Jorge A. López, Oscar Muñoz-Granados |
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| Rok vydání: | 2019 |
| Předmět: |
Denticity
010405 organic chemistry chemistry.chemical_element 010402 general chemistry 01 natural sciences Sulfur Chloride 0104 chemical sciences Catalysis Inorganic Chemistry Metal Crystallography chemistry Intramolecular force visual_art Materials Chemistry visual_art.visual_art_medium medicine Physical and Theoretical Chemistry Palladium medicine.drug |
| Zdroj: | Polyhedron. 173:114115 |
| ISSN: | 0277-5387 |
| Popis: | The symmetric ligands [Ar-S-CH2-Ph-S-(CH2)-]2, L1 (Ar = o-FPh) and L2 (Ar = p-FPh), and their PdII complexes (1 and 2) were synthesized and structurally characterized. Molecular structures of complexes 1 and 2 display the L1 and L2 ligands coordinating palladium in a κ2-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⋯Hortho interactions with distances from 2.976 to 3.280 A. These distances can suffer an increase or decrease in their longitude due to the presence of intramolecular C–H⋯π interactions. Additionally, the presence of Pd⋯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⋯Hortho interactions have been evaluated in the Suzuki-Miyaura cross-coupling reactions. |
| Databáze: | OpenAIRE |
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