CONFORMATIONAL AND CONFIGURATIONAL DETERMINATION IN 1,1,4,4-TETRAFLUORO-2-PROPYLIDENE-3-METHYL-6-TERT-BUTYL-1,4-DISILA-5-CYCLOHEXENE

A complete assignment of the H-1, C-13 and F-19 NMR spectra of 1,1,4,4-tetrafluoro-2-propylidene-3-methyl-6-tert-butyl-1,4-disila-5-cyclohexene 3, the product of the cycloaddition reaction between tetrafluorodisilacyclobutene 1 and cis,trans-2,4-hexadiene mediated by (eta(5)-C5H5)Mn(CO)3, has been made by means of various 2D NMR chemical shift correlation methods and selective heteronuclear decoupling techniques. An analysis of the three bond C-13-H-1 coupling constants and two bond C-13-F-19 coupling constants and the molecular modeling results enabled the determination of the conformation and configuration of compound 3. The conformation of 3 provides insight into mechanistic details of the Mn-mediated cycloaddition.