Collect. Czech. Chem. Commun. 1983, 48, 1635-1646

Substituent effect on wave numbers of C=O valence vibrations in ferrocene derivatives

Alexander Perjéssy and Štefan Toma

Department of Organic Chemistry, Comenius University, 842 15 Bratislava


Wave numbers of C=O valence vibrations of 83 ferrocene derivatives have been measured in tetrachloromethane. For a series of 154 compounds containing ferrocene skeleton linear correlation has been found between wave numbers of C=O vibration and X+(R) constants of structural fragments in the sense of modified and extended Seth-Paul-Van Duyse equation. Validity has been verified of the recently derived empirical relation for calculation of the X+(R) constants of complex structural fragments from values of constants of substituents and transmission factors for simple structural groupings. The transmission factors γ and π' for 1,3- and 1,1'-ferrocene system have been found to be well applicable to calculation of constants of structural fragments containing ferrocene skeleton.