Mild activation of IrCl bond upon the interaction of pincer iridium hydride (^tBuPCP)IrH(Cl) with acids and bases

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• 作者：Ekaterina M. Titova^a ; Elena S. Osipova^a ; Ekaterina S. Gulyaeva^a ; Vladimir N. Torocheshnikov^b ; Aleksandr A. Pavlov^a ; Gleb A. Silantyev^a ; Oleg A. Filippov^a ; Elena S. Shubina^a ; Natalia V. Belkova^a ; ^{nataliabelk@ineos.ac.ru}
• 关键词：Iridium pincer complexes ; Metal hydrides ; Hydrogen bonding ; Nitrile and pyridine ligands ; Molecular spectroscopy ; DFT calculations
• 刊名：Journal of Organometallic Chemistry
• 出版年：2017
• 出版时间：1 January 2017
• 年：2017
• 卷：827
• 期：Complete
• 页码：86-95
• 全文大小：2286 K
• 卷排序：827

文摘

Coordination of N-bases to (PCP)IrH(Cl) was studied experimentally and theoretically. The binding enthalpies order is opposite to room temperature formation constants order. DFT calculations confirm preferential coordination of RCN and pyridines trans to IrH. The elongation of IrCl bond correlates with the strength of the IrN binding. Formation of IrCl⋯HX hydrogen bonds with alcohols further activates IrCl bond.