Reversible Sigma C-C Bond Formation Between Phenanthroline Ligands Activated by (C5Me5)2Yb

摘要: The electronic structure and associated magnetic properties of the 1,10-phenanthroline adducts Cp*2Yb are dramatically different from those 2,2′-bipyridine adducts. monomeric phenanthroline ground state triplets that based upon trivalent Yb(III), f13, (phen•– ) only weakly exchange coupled, which is in contrast to bipyridine whose states multiconfigurational, open-shell singlets ytterbium intermediate valent (J. Am. Chem. Soc 2009, 131, 6480; J. 2010, 132, 17537). origin these physical traced number symmetry LUMO LUMO+1 heterocyclic diimine ligands. bipy•– has one π*1 orbital b1 accessible energy, but phen•– two π* orbitals a2 energetically accessible. carbon pπ-orbitals have nodal coefficients their energies, therefore populations change depending on pos...