title: Single-crystal 55Mn NMR spectra of two Mn12 single-molecule magnets.
abstract: The initial application is reported of single-crystal 55Mn NMR spectroscopy, and associated orientation dependence studies, to single-molecule magnets (SMMs). The studies were performed on two members of the Mn12 family of SMMs, [Mn12O12(O2CMe)16(H2O)4].2MeCO2H.4H2O (Mn12-Ac) and [Mn12O12(O2CCH2Br)16(H2O)4].4CH)Cl) (Mn12-BrAc). Single-crystal spectra give a dramatic improvement in the spectral resolution over oriented powder spectra, allowing the clear observation of quadrupolar splittings, the determination of quadrupole coupling parameters (e2qQ), and an assessment of the symmetry-lowering perturbation of the core of Mn12-Ac by hydrogen-bonding interactions with lattice solvate molecules of crystallization. The results emphasize the utility of single-crystal NMR studies to probe the cores of these magnetic molecules.
authors.affiliation: Department of Chemistry and Biochemistry and National High Magnetic Field Laboratory, Florida State University, Tallahassee, Florida 32306, USA.
authors.forename: Andrew G
authors.initials: AG
authors.lastname: Harter
authors.forename: Nicole E
authors.initials: NE
authors.lastname: Chakov
authors.forename: Brian
authors.initials: B
authors.lastname: Roberts
authors.forename: Randy
authors.initials: R
authors.lastname: Achey
authors.forename: Arneil
authors.initials: A
authors.lastname: Reyes
authors.forename: Philip
authors.initials: P
authors.lastname: Kuhns
authors.forename: George
authors.initials: G
authors.lastname: Christou
authors.forename: Naresh S
authors.initials: NS
authors.lastname: Dalal