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• W2062803502 abstract "The synthesis, spectroscopic and magnetic properties of two nickel clusters are described, Ni8(NCS)8(Hahmt)6(H2ahmt)4(ahmt)(H2O)12 (A) and Ni4(Hahmt)4(H2ahmt)2(NCS)4(H2O)4 (B) (H2ahmt = 4-amino-3,5-bis(hydroxymethyl)-1,2,4-triazole). The X-ray structure of A has been determined. The compound crystallizes in the space group C2/c, a = 25.458(2), b = 15.466(2), c = 26.959(3) Å, β = 90.648(5)°. The structure was refined to R = 0.108 for 4169 observed reflections. The structure consists of two Ni4O4 cubane-type clusters, each consisting of four nickel atoms, three singly deprotonated and one doubly deprotonated ligands. Hahmt coordinates as a bidentate chelating ligand through its triazole-N1 and its 3-oxymethyl-part. The doubly deprotonated ligand chelates in a bis-bidentate manner to two Ni4 clusters. In this way dumbbell-like pairs of ligand bridged cubanes are formed. Along two opposite diagonals of the Ni4O4 cubanes a neutral ligands, coordinating through its triazole-N1,N2 atoms, forms a bridge between two nickel ions. The NiN3O3 chromophore is completed by a monodentate N-coordinating thiocyanate anion. Compound B, for which only partial structure determination was possible, has the same Ni4O4 cubane-type cluster, however, without the bridging ligand between the cubanes. The two types of NiNi bridges result in two unequivalent superexchange pathways. In the compounds both ferromagnetic and antiferromagnetic interaction pathways are present, resulting in an overall antiferromagnetic behaviour. The nature of the interaction for the different pathways is related to the observed NiONi angles. The intercluster exchange is much larger through the triazole bridge in A than it is in B, where only hydrogen bridges keep the clusters together." @default.
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• W2062803502 date "1987-06-01" @default.
• W2062803502 modified "2023-09-24" @default.
• W2062803502 title "Ferromagnetic and antiferromagnetic spin coupling in Ni4O4 cubane-type clusters with 4-amino-3,5-bis(hydroxymethyl)-1,2,4-triazole as a ligand. The x-ray structure of a new dumbbell-like double cubane cluster" @default.
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• W2062803502 doi "https://doi.org/10.1016/s0020-1693(00)86664-5" @default.
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