title: Pure trinuclear 4f single-molecule magnets: synthesis, structures, magnetism and ab initio investigation.
abstract: A family of linear Dy(3) and Tb(3) clusters have been facilely synthesized from the reactions of DyCl(3), the polydentate 3-methyloxysalicylaldoxime (MeOsaloxH(2) ) ligand with auxiliary monoanionic ligands, such as trichloroacetate, NO(3)(-), OH(-), and Cl(-). Complexes 1-5 contain a nearly linear Ln(3) core, with similar Ln···Ln distances (3.6901(4)-3.7304(3) Å for the Dy(3) species, and 3.7273(3)-3.7485(5) Å for the Tb(3) species) and Ln···Ln···Ln angles of 157.036(8)-159.026(15)° for the Dy(3) species and 157.156(8)-160.926(15)° for the Tb(3) species. All three Ln centers are bridged by the two doubly-deprotonated [MeOsalox](2-) ligands and two of the four [MeOsaloxH](-) ligands through the N,O-η(2)-oximato groups and the phenoxo oxygen atoms (Dy-O-Dy angles=102.28(16)-106.85(13)°; Tb-O-Tb angles=102.00(11)-106.62(11)°). The remaining two [MeOsaloxH](-) ligands each chelate an outer Ln(III) center through their phenoxo oxygen and oxime nitrogen atoms. Magnetic studies reveal that both Dy(3) and Tb(3) clusters exhibit significant ferromagnetic interactions and that the Dy(3) species behave as single-molecule magnets, expanding upon the recent reports of the pure 4f type SMMs.
authors.affiliation: Key Laboratory of Synthetic Bioinorganic Chemistry of Ministry of Education, State Key Laboratory of Optoelectronic Materials and Technologies, School of Chemistry and Chemical Engineering, Sun Yat-Sen University, Guangzhou 510275, P. R. China.
authors.forename: Fu-Sheng
authors.initials: FS
authors.lastname: Guo
authors.forename: Jun-Liang
authors.initials: JL
authors.lastname: Liu
authors.forename: Ji-Dong
authors.initials: JD
authors.lastname: Leng
authors.forename: Zhao-Sha
authors.initials: ZS
authors.lastname: Meng
authors.forename: Zhuo-Jia
authors.initials: ZJ
authors.lastname: Lin
authors.forename: Ming-Liang
authors.initials: ML
authors.lastname: Tong
authors.forename: Song
authors.initials: S
authors.lastname: Gao
authors.forename: Liviu
authors.initials: L
authors.lastname: Ungur
authors.forename: Liviu F
authors.initials: LF
authors.lastname: Chibotaru
mesh_terms: D018360:Crystallography, X-Ray; D058085:Iron Compounds / Q000138:chemical synthesis* / Q000737:chemistry; D028581:Lanthanoid Series Elements / Q000138:chemical synthesis* / Q000737:chemistry; D008280:Magnetics; D008958:Models, Molecular; D008968:Molecular Conformation; D015394:Molecular Structure; D013816:Thermodynamics
chemical_list: D058085:Iron Compounds; D028581:Lanthanoid Series Elements