Experimental and theoretical studies of a triazole ligand and complexes formed with the lanthanides
Abstract
The crystal structure of 2DBTZP·H2O [DBTZP = 2,6-bis(5-butyl-1,2,4-triazol-3-yl)pyridine] has been determined and shows a dimeric structure in which two ligands, with different protonation patterns, form four hydrogen bonds with an enclosed water molecule. Several crystal structures have been determined of lanthanide complexes with the corresponding 5-methyl derivative (DMTZP) which cover the lanthanide series. Four different structural types are reported: LaIII forms [La(DMTZP)(NO3)(H2O)5][NO3)2; NdIII, SmIII and TbIII in the first part of the lanthanide series form [M(DMTZP)(NO3)3(H2O)] which is crystallographically disordered over a two-fold axis, HoIII forms [Ho(DMTZP)(NO3)3(H2O)], with one monodentate nitrate giving nine co-ordination, while ErIII and YbIII form [M(DMTZP)(NO3)3] complexes which are also nine-co-ordinate.
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