Enneanuclear [Ni 6 Ln 3 ] Cages: [Ln III 3 ] Triangles Capping [Ni II 6 ] Trigonal Prisms Including a [Ni 6 Dy 3 ] Single-Molecule Magnet Angelos B. Canaj, Demetrios I. Tzimopoulos, Milosz Siczek, § Tadeusz Lis, § Ross Inglis,* , and Constantinos J. Milios* , Department of Chemistry, The University of Crete, Voutes, 71003, Herakleion, Greece Department of Chemistry, Aristotle University of Thessaloniki, 54124 Thessaloniki, Greece § Faculty of Chemistry, University of Wroclaw, Joliot-Curie 14, 50-383, Wroclaw, Poland School of Chemistry, The University of Edinburgh, David Brewster Road, EH9 3FJ Edinburgh, U.K. * S Supporting Information ABSTRACT: The use of (2-(β-naphthalideneamino)-2-hydroxymethyl-1-propanol) ligand, H 3 L, in Ni/Ln chemistry has led to the isolation of three new isostructural [Ni II 6 Ln III 3 ] metallic cages. More specically, the reaction of Ni(ClO 4 ) 2 ·6H 2 O, the corresponding lanthanide nitrate salt, and H 3 L in MeCN, under solvothermal conditions in the presence of NEt 3 , led to the isolation of three complexes with the formulas [Ni 6 Gd 3 (OH) 6 (HL) 6 (NO 3 ) 3 ]·5.75MeCN·2Et 2 O·1.5H 2 O (1·5.75MeCN· 2Et 2 O·1.5H 2 O), [Ni 6 Dy 3 (OH) 6 (HL) 6 (NO 3 ) 3 ]·2MeCN·2.7Et 2 O·2.4H 2 O (2·2MeCN· 2.7Et 2 O·2.4H 2 O), and [Ni 6 Er 3 (OH) 6 (HL) 6 (NO 3 ) 3 ]·5.75MeCN·2Et 2 O·1.5H 2 O (3· 5.75MeCN·2Et 2 O·1.5H 2 O). The structure of all three clusters describes a [Ln III 3 ] triangle capping a [Ni II 6 ] trigonal prism. Direct current magnetic susceptibility studies in the 5300 K range for complexes 13 reveal the dierent nature of the magnetic interactions within the clusters: dominant antiferromagnetic exchange interactions for the Dy III and Er III analogues and dominant ferromagnetic interactions for the Gd III example. Alternating current magnetic susceptibility measurements under zero external dc eld displayed fully formed temperature- and frequency-dependent out-of-phase peaks for the [Ni II 6 Dy III 3 ] analogue, establishing its single molecule magnetism behavior with U eff = 24 K. INTRODUCTION One of the most active areas in the eld of molecular magnetism is the search for single molecule magnets (SMMs), i.e., molecules that retain their magnetization once magnetized in the absence of magnetic eld. 1 The number of such species has grown exponentially over the last 2 decades, with the phenomenon initially observed for transition-metal centers such as Mn, Fe, Co, and Ni, with the [Mn 12 OAc] and the [Fe 8 /tacn] molecules being the very rst examples. 2 In addition, in 2003 the mononuclear complex (NBu 2 )[Pc 2 Ln] (Ln = Tb, Dy) was also found to display SMM behavior, thus opening the way for 4f SMMs. 3 Nowadays, the introduction of 4f centers in the eld of SMMs is mainly due to the two fundamental properties of lantha- nides(1) their large magnetic moment, since they can host up to seven unpaired electrons in the 4f orbitals, and (2) their large magnetic anisotropy, due to the large spinorbit coupling present (with the exceptions of La III , Gd III , and Lu III )both of which are the main prerequisites for the appearance of SMM behavior. Today, molecules with impressive SMM properties have been reported with examples including 4f centers, while the 3d SMMs seem to have reached their peak. These new 4f- containing species, either 3d4f or purely 4f, display extremely large energy barriers for the reorientation of the magnetization, assuming, of course, that an Arrhenius analysis is valid for such systems. 4 We recently reported the use of the naphthalene-based triol ligand H 3 L [L = 2-(β-naphthalideneamino)-2-hydroxymethyl-1- propanol, Scheme 1] for the synthesis of polynuclear 3d complexes 5 and Mn-4f complexes. 6 Herein, we report the use Received: May 21, 2015 Scheme 1. Structure of the Ligand Discussed in the Text and Its Coordination Modes in 13 Article pubs.acs.org/IC © XXXX American Chemical Society A DOI: 10.1021/acs.inorgchem.5b01149 Inorg. Chem. XXXX, XXX, XXXXXX