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Synthesis of and computational studies on C(s)- and C(1)-symmetric bis(imino)pyridine ligands

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Description: Synthesis of a new bis(imino) pyridine with t-butyl substituents on the imino carbon atoms, 2,6-{(2,6-Me 2 -C 6 H 3 )NC( t -Bu)} 2 C 5 H 3 N, by a new step-wise method is described. Metalation attempts under a range of conditions did not yield the desired metal complexes. Computational studies were carried out to evaluate the relative energies of three conformations of this and other C s - and C 1 -symmetric bis(imino) pyridine ligands which revealed a thermodynamic explanation for the failure to metalate. Relative energies were used to determine the feasibility of metalation of C 1 -symmetric bis(imino) pyridine ligands. Progress was made towards the synthesis of a new C 1 -symmetric bis(imino)pyridine ligand with a t -butyl substituent on one imino carbon atom and a phenyl substituent on the other imino carbon atom.
Language: English
Format: Degree Work