Bonding and Substituent Effects in Electron-Rich Mononuclear Ruthenium σ-Arylacetylides of the Formula [(η2-dppe)(η5-C5Me5)Ru(C⋮C)-1,4-(C6H4)X][PF6]n(n= 0, 1; X = NO2, CN, F, H, OMe, NH2)

• DOI: 10.1021/om050799t
• Publication Date: 2006-01-23T05:33:02Z
• Authors: Frédéric Paul; Benjamin G. Ellis; Michael I. Bruce; Loic Toupet; Thierry Roisnel; Karine Costuas; Jean-François Halet; Claude Lapinte
• Keywords: Acetylide; Reactivity

This study reports the isolation and structural (X-ray), UV−vis, NMR characterization of a series electron-rich Ru(II) acetylide complexes formula (η2-dppe)(η5-C5Me5)Ru(C⋮C)-1,4-(C6H4)X (1a−f; X = NO2, CN, F, H, OMe, NH2) (η2-dppe)(η5-C5Me5)Ru(C⋮C)-1,3-(C6H4)F (1c-m), as well spectroscopic (near-IR ESR) in situ corresponding elusive Ru(III) radical cations. The data are discussed connection with DFT computations, consistent picture electronic structure these is proposed. Notably, strong reactivity radicals evidenced this contribution constitutes major difference relative stability known iron analogues.