Darstellung und spektroskopische untersuchungen der beiden isomeren von tricarbonyl[tricarbonyl(methyl-ferracyclopentadien)]eisen, CH 3C 4H 3Fe 2(CO) 6; kristallstruktur von tricarbonyl[tricarbonyl(methyl-ferrathiacyclohexadien)]eisen, CH 3C 4H 3SFe 2(CO) 6

Abstract

The preparation, mass and 1H NMR spectra of the two isomers of monomethyl substituted tricarbonyl[tricarbonyl(ferracyclopentadiene)]iron, CH 3C 4H 3Fe 2(CO) 6, are described. Their 13C NMR spectra and that of the parent compound, C 4H 4Fe 2(CO) 6, are reported. The compounds can be prepared by treatment of Fe 3(CO) 12 with corresponding thiophene derivative (yield 4.2 and 10.7%, respectively). By treatment of Fe 3(CO) 12 with 2-methylthiophene CH 3C 4H 3SFe 2(CO) 6 is formed (yield 0.7%). The X-ray crystal structure determination reveals a tricarbonyl ferrathiacyclohexadiene ring system π-bonded to a Fe(CO) 3 group. (Space group P2 1/ c, four formula units in the monoclinic unit cell, R = 0.028.) The 1H NMR and mass spectra are given.