324745-52-0Relevant academic research and scientific papers
Structure and bonding properties of the complex (η5-diphenylfulvene)Mn(CO)3+
Volland,Kudis,Helmchen,Hyla-Kryspin,Rominger,Gleiter
, p. 227 - 230 (2001)
Reaction of cymantrene (6) with n-butyl-lithium followed by benzophenone and subsequent hydrolysis yielded 1-(diphenylhydroxymethyl)(η5-cyclopentadienyl)(tricarbonyl)manganese (7). Treatment of 7 with HBArF·2Et2O in methylene chloride affords the blue cation 2b. Investigations of single crystals of 2b by means of the X-ray technique showed a displacement of the exo carbon by 6.6° toward the metal and a pronounced bond alternation of the C-C bonds of the fulvene moiety. DFT calculations on the parent system 2a and on a system with a planar fulvene moiety (2a′) yielded an energy difference of 23 kJ/mol in favor of 2a. As a result of the bending of the exo methylene group the positive charge at the metal is increased and at C9 decreased.
