Characterization of the Structural and Electronic Properties of Spin

Nov 16, 1995 - Julie M. Brink, Rachel A. Rose, and Richard C. Holz*. Department of Chemistry and Biochemistry, Utah State University, Logan, Utah 8432...
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Inorg. Chem. 1996, 35, 2878-2885

Characterization of the Structural and Electronic Properties of Spin-Coupled Dinuclear Copper(II) Centers by Proton NMR Spectroscopy Julie M. Brink, Rachel A. Rose, and Richard C. Holz* Department of Chemistry and Biochemistry, Utah State University, Logan, Utah 84322 ReceiVed NoVember 16, 1995X

The 1H NMR spectra of a series of well-characterized µ-phenoxo and µ-alkoxo spin-coupled dicopper(II) complexes have been investigated. The complexes studied were [Cu2(BPMP)(OH)]2+ (1) (BPMP ) 2,6-bis[[bis(2pyridylmethyl)amino]methyl]-4-methylphenol), [Cu2(CH3HXTA)(OH)]2- (2) (CH3HXTA ) N,N ′-(2-hydroxy5-methyl-1,3-xylylene)bis(N-carboxymethylglycine), [Cu2(m-XYL)(OH)]2+ (3) (m-XYL ) 2,6-bis[[bis(2pyridylethyl)amino]methyl]phenol), and [Cu2(TBHP)(OAc)]2+ (4) (TBHP ) N,N,N ′,N ′-tetrakis[(2benzimidazolyl)methyl]-2-hydroxy-1,3-diaminopropane). The magnetic interactions of these complexes range from strongly antiferromagnetically to weakly ferromagnetically coupled. Both one- and two-dimensional (COSY) 1H NMR methods were used to facilitate the assignment of the hyperfine shifted 1H NMR signals of each complex. COSY experiments provide clear cross signals for resonances