A Detailed Study of the Magnetism of Chiral {Cr7M} Rings: An Investigation into Parametrization and Transferability of Parameters

作者：Garlatti Elena; Albring Morten A; Baker Michael L; Docherty Rebecca J; Mutka Hannu; Guidi Tatiana; Sakai Victoria Garcia; Whitehead George F S; Pritchard Robin G; Timco Grigore A; Tuna Floriana; Amoretti Giuseppe; Carretta Stefano; Santini Paolo; Lorusso Giulia; Affronte Marco; McInnes Eric J L; Collison David; Winpenny Richard E P^*

来源：Journal of the American Chemical Society, 2014, 136(27): 9763-9772.

DOI：10.1021/ja5047445

Compounds of general formula [Cr7MF3(Etglu)-((O2CBu)-Bu-t)(15)(Phpy)] [H(5)Etglu = N-ethyl-n-glucamine; Phpy = 4-phenylpyridine; M = Zn (1), Mn (2), Ni (3)] have been prepared. The structures contain an irregular octagon of metal sites formed around the penta-deprotonated Etglu(5-) ligand; the chirality of N-ethyl-n-glucamine is retained in the final product. The seven Cr-III sites have a range of coordination environments, and the divalent metal site is crystallographically identified and has a Phpy ligand attached to it. By using complementary experimental techniques, including magnetization and specific heat measurements, inelastic neutron scattering, and electron paramagnetic resonance spectroscopy, we have investigated the magnetic features of this family of {Cr7M} rings. Microscopic parameters of the spin Hamiltonian have been determined as a result of best fits of the different experimental data, allowing a direct comparison with corresponding parameters found in the parent compounds. We examine whether these parameters can be transferred between compounds and compare them with those of an earlier family of heterometallic rings.

• 出版日期2014-7-9