Formation of (E)-[FcC(PS2(OR)2)CH(PS2(OR)2)] (R = Me, Et, iPr) in photolytic reactions of ferrocenylacetylene and [(RO)2PS2H] in hexane/alcohols: Experimental and DFT study

• [(RO)2P(S)S] radicals play an important role in substituted ethene formation.
• Structure of (E)-[FcC(PS2(OMe)2)CH(PS2(OMe)2)] was confirmed by single crystal X-ray analyses.
• Relative stabilities of [(RO)2P(S)S] radicals in polar and non-polar solvents have been studied by DFT calculations.

Photochemical reactions of ferrocenylacetylene with dialkyldithiophosphoric acid in hexane at low temperature led to the formation of (E)-[FcC(PS2(OR)2)CH(PS2(OR)2)] (R = Me, Et, iPr). Formation of these compounds have been studied experimentally and computationally in different solvents.

Photochemical reactions of ferrocenylacetylene with dialkyldithiophosphoric acid in hexane at low temperature led to the formation of (E)-[FcC(PS2(OR)2)CH(PS2(OR)2)] (R = Me, Et, iPr). Formation of these compounds have been studied experimentally and computationally in different solvents.Figure optionsDownload as PowerPoint slide