All-round robustness of the Mn19 coordination cluster system: experimental validation of a theoretical prediction.

ABSTRACT

Experimental and theoretical studies indicate that achieving the maximum possible ground spin state of ST = 83/2 for the mixed-valent Mn19 coordination cluster is insensitive to replacement of its eight µ3-N3 ligands by µ3-Cl, µ3-Br, µ3-OH or µ3-OMe, substantiating that the ferromagnetic interactions are indeed mediated mainly by the internal (µ4-O) ligands. The robustness of the inorganic {Mn(III)12Mn(II)7(µ4-O)8} core is clear from the molecular structure and ESI-MS studies have shown that the structure of the Mn19 aggregate, and also of its Mn18Y analogue, are stable beyond the solid state.