Abstracts 2006

Abstract of Publication No. 546

Oliver Waldmann, Hans U. Güdel, Timothy L. Kelly and Laurence K. Thompson
The Mixed-Valent Manganese [33] Grid [Mn(III)4Mn(II)5(2poap-2H)6](ClO4)1010H2O, a Mesoscopic Spin-1/2 Cluster
Inorg. Chem. 45, 3295-3300 (2006)      Full Text (PDF)      DOI-Link      Supplementary Data (PDF)     

Abstract: The magnetic susceptibility and low-temperature magnetization curve of the [33] grid [Mn(III)4Mn(II)5(2poap-2H)6](ClO4)1010H2O (1) are analyzed within a spin Hamiltonian approach. The Hilbert space is huge (4 860 000 states), but the consequent use of all symmetries and a two-step fitting procedure nevertheless allows the best-fit determination of the magnetic exchange parameters in this system from complete quantum mechanical calculations. The cluster exhibits a total spin S = 1/2 ground state; the implications are discussed.

Last modified: 13.12.11 by Gabriela Frei