Spectroscopic and Theoretical Study of Asymmetric 1,1′-Diaminoferrocene Conjugates of α-Amino Acids

The synthesis and characterization of asymmetric 1,1′-diaminoferrocene conjugates of α-amino acids Boc-AA-NH-Fn-NH-Ac [AA = Gly ( 10 ), Ala ( 11 ), d -Ala ( 12 ), Val ( 13 ), Fn = 1,1′-ferrocenediyl] is reported. The conformational preferences of these organometallic peptidomimetics in solution are determined experimentally by circular dichroism spectroscopy, IR spectroscopy, and NMR spectroscopy and corroborated theoretically by DFT calculations.