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

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• 作者：Elena Garlatti ; Morten A. Albring ; Michael L. Baker ; Rebecca J. Docherty ; Hannu Mutka ; Tatiana Guidi ; Victoria Garcia Sakai ; George F. S. Whitehead ; Robin G. Pritchard ; Grigore A. Timco ; Floriana Tuna ; Giuseppe Amoretti ; Stefano Carretta ; Paolo Santini ; Giulia Lorusso ; Marco Affronte ; Eric J. L. McInnes ; David Collison ; Richard E. P. Winpenny
• 刊名：Journal of the American Chemical Society
• 出版年：2014
• 出版时间：July 9, 2014
• 年：2014
• 卷：136
• 期：27
• 页码：9763-9772
• 全文大小：601K
• ISSN：1520-5126

文摘

Compounds of general formula [Cr₇MF₃(Etglu)(O₂C^tBu)₁₅(Phpy)] [H₅Etglu = N-ethyl-d-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鈥?/sup> ligand; the chirality of N-ethyl-d-glucamine is retained in the final product. The seven CrIII 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.}