4 years ago

Metal–Ligand Bonding Situation in Ruthenophanes Containing Multibridged Cyclophanes

Metal–Ligand Bonding Situation in Ruthenophanes Containing Multibridged Cyclophanes
Sérgio E. Galembeck, Giovanni F. Caramori, Alechania Misturini, Renato P. Orenha, Leone C. Garcia
Cation−π interactions in a set of ruthenophanes [Ru(η6-CnHn)(NH3)3]2+ (n = 16, 18, 20, 22, and 24) (19), containing multibridged cyclophanes as ligands, including [2.2]paracyclophane and its multibridged analogs, [2n]cyclophanes, are analyzed in terms of SAPT0/TZP and Su–Li EDA analyses. The calculations reveal that the coordination with cation [Ru(NH3)3]2+ affects the structures of [2n]ciclophane ligands, mainly the planarity of the coordinating ring. The EDA results show that the gradual addition of ethano bridges in [2n]cyclophanes tends to strengthen the cation−π interaction between [Ru(NH3)3]2+ and [2n]cyclophane. Both Su–Li EDA and SAPT0 are in line, suggesting that the cation−π interactions present a predominant covalent character in complexes 19.

Publisher URL: http://dx.doi.org/10.1021/acs.organomet.7b00393

DOI: 10.1021/acs.organomet.7b00393

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