scholarly journals S-Functionalized Tripods with Monomethylene Spacers: Routes to Tetrairon(III) Single-Molecule Magnets with Ultrashort Tethering Groups

2020 ◽  
Vol 6 (4) ◽  
pp. 55
Author(s):  
Andrea Cornia ◽  
Chiara Danieli ◽  
Fabio Meglioli ◽  
Erik Tancini ◽  
Alessio Nicolini ◽  
...  

The organization of single-molecule magnets (SMMs) on surfaces is a mainstream research path in molecular magnetism. Of special importance is the control of grafting geometry in chemisorbed monolayers on metal surfaces. We herein present the synthesis, solid-state structure, and magnetic characterization of propeller-like tetrairon(III) SMMs containing the shortest-reported tethering groups for gold surfaces. Functionalization of molecular structure is attained using 2-R-2-(hydroxymethyl)propane-1,3-diol tripodal proligands (H3LR). The R substituents comprise a monomethylene spacer and three different terminations known to act as stable precursors of S-Au bonds (R = CH2SCN, CH2SAc and CH2SSnBu). These chemical groups are shown to be chemically compatible with the tetrairon(III) core and to afford fully-functional SMMs in crystalline form and in fair to excellent yields.

2016 ◽  
Author(s):  
Luigi Malavolti

Single Molecule Magnets (SMMs) showing bistability and quantum phenomena are promising candidates for spintronic applications. In recent years, the study of hybrid surfaces composed of SMMs on conductive and magnetic surfaces has attracted increasing interest. In this work the preparation of hybrid surfaces made by terbium bis(phthalocyaninato) and Fe4 SMMs is reported. The surfaces were structurally and magnetically characterized by means of laboratory and large scale facility techniques. This investigation has provided interesting hints towards their application in spintronic devices and has paved the way for the magnetic characterization of Fe4 at the single molecule level.


Author(s):  
Hilary J. Eppley ◽  
Sheila M. J. Aubin ◽  
Michael W. Wemple ◽  
David M. Adams ◽  
Hui-Lien Tsai ◽  
...  

2017 ◽  
Vol 121 (8) ◽  
pp. 1726-1733 ◽  
Author(s):  
Mariano Spivak ◽  
Konstantinos D. Vogiatzis ◽  
Christopher J. Cramer ◽  
Coen de Graaf ◽  
Laura Gagliardi

2003 ◽  
Vol 42 (14) ◽  
pp. 1645-1648 ◽  
Author(s):  
Andrea Cornia ◽  
Antonio C. Fabretti ◽  
Mirko Pacchioni ◽  
Laura Zobbi ◽  
Daniele Bonacchi ◽  
...  

2016 ◽  
Vol 7 (4) ◽  
pp. 2470-2491 ◽  
Author(s):  
Jamie M. Frost ◽  
Katie L. M. Harriman ◽  
Muralee Murugesu

Single-molecule magnets (SMMs) that contain one spin centre (so-called single-ion magnets) theoretically represent the smallest possible unit for spin-based electronic devices. These molecules hold the promise to revolutionize computing and change the methodology by which we store, employ and process information.


Author(s):  
Alessandro Lunghi ◽  
Federico Totti

The rationalization of single molecule magnets’ (SMMs) magnetic properties by quantum mechanical approaches represents a major task in the field of the Molecular Magnetism. The fundamental interpretative key of molecular magnetism is the phenomenological Spin Hamiltonian and the understanding of the role of its different terms by electronic structure calculations is expected to steer the rational design of new and more performing SMMs. This paper deals with the ab initio calculation of isotropic and anisotropic exchange contributions in the Fe(III) dimer [Fe2(OCH3)2(dbm)4]. This system represents the building block of one of the most studied Single Molecule Magnets ([Fe4RC(CH2O)3)2(dpm)6] where R can be an aliphatic chain or a phenyl group just to name the most common functionalization groups) and its relatively reduced size allows the use of a high computational level of theory. Calculations were performed using CASSCF and NEVPT2 approaches on the X-ray geometry as assessment of the computational protocol, which has then be used to evinced the importance of the outer coordination shell nature through organic ligand modelization. Magneto-structural correlations as function of internal degrees of freedom for isotropic and anisotropic exchange contributions are also presented, outlining for the first time the extremely rapidly changing nature of the anisotropic exchange coupling.


2012 ◽  
Vol 52 (1) ◽  
pp. 258-272 ◽  
Author(s):  
Christos Lampropoulos ◽  
Muralee Murugesu ◽  
Andrew G. Harter ◽  
Wolfgang Wernsdofer ◽  
Stephen Hill ◽  
...  

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