Syntheses and structural characterization of some mono- and di-p-nitrophenyl[3]ferrocenophanes: X-ray structure of [3]ferrocenophane, 3-p-nitrophenyl[3]ferrocenophane, and 3,4′-bis-(p-nitrophenyl)[3]ferrocenophane; DFT calculations on ferrocene derivative

Article abstract of DOI:10.1016/S0022-328X(02)01113-0

[3]Ferrocenophane (3a) reacts in a Gomberg reaction with diazotized p-nitroaniline to give a mixture of mono-and di-substituted products. The isomeric pairs of 3- and 2-(p-nitrophenyl)[3]ferrocenophanes (4 and 5), as well as 3,4′- and 3,4-bis-(p-nitrophen