The FCTL DIG3tren has three diisopropyl guanidium (DIG) arms, which adopt various conformations in metal DIG3tren complexes depending on the presence and size of auxiliary ligands.  Treating [M(DIG3tren)OAc]OAc with KSCN in organic solvents replaces acetate with isothiocyanate.  X-ray crystal structures of [M(DIG3tren)NCS][SCN]�H2O, M = Co, Cu show the DIG arms in the same closed configurations as in [Co(DIG3tren)][BPh4]2.  H-bonds from the water of crystallization stabilize the second coordination sphere.

Isothiocyanato Co(II) and Cu(II) complexes of a four coordinate tripodal ligand (FCTL) with a conformable binding pocket

244th National Meeting (2012)

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