Nanoscopic molecular magnets

Goswami, Soumyabrata; Mondal, Amit Kumar; Konar, Sanjit

doi:10.1039/c5qi00059a

Cited by 81 publications

(30 citation statements)

References 208 publications

(150 reference statements)

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“…The importance of SMMs is that, even in the absence of an external magnetic field, they can preserve the magnetization for long period of time at low temperatures. After an extensive research on 3d metal complexes in the last decade [2][3][4], a rapid development of Ln based SMMs has been observed in recent years [5][6][7][8][9]. Compared to 3d metals, Ln based SMMs are mostly investigated owing to the fact that the Ln III ions such as Dy III , Tb III , Er III , and Ho III have huge and unquenched orbital angular momentum [10][11][12] which causes substantial magnetic anisotropy.…”

Section: Introductionmentioning

confidence: 99%

Modulating the Slow Relaxation Dynamics of Binuclear Dysprosium(III) Complexes through Coordination Geometry

2016

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A class of two dinuclear dysprosium based complexes 1 and 2 were synthesized by employing salicyloylhydrazone derived pentadentate ligand (L). Structural analysis reveals that in complex 1, two Dy III centers are in muffin (C s ) coordination geometry while in 2, one Dy III center is in bicapped square antiprism (D 4d ) and other one is in triangular dodecahedron (D 2d ) coordination geometry. AC magnetic susceptibility measurements disclose that complexes 1 and 2 exhibit single-molecule magnet (SMM) behavior, with effective energy barrier of 36.4 and 9.7 K, respectively. The overall studies reveal that small differences in the coordination environment around the Dy III centers played a significant role in the difference in relaxation dynamics of the complexes. In order to elucidate the role of intermolecular interactions between nearby Dy III centers in the magnetic relaxation behavior, a diamagnetic isostructural Y III analog (3) was synthesized and magnetic behavior was examined.

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Section: Introductionmentioning

confidence: 99%

Modulating the Slow Relaxation Dynamics of Binuclear Dysprosium(III) Complexes through Coordination Geometry

2016

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“…Single molecule magnets (SMMs) have attracted great attention due to their potential applications in the field of quantum computing, molecular spintronics, magneto-optics and high density data storage [1][2][3][4]. These low dimensional magnets, such as single ion magnet (SIM), single molecule magnet (SMM) [5,6] and single chain magnet (SCM) [7][8][9] show slow magnetic relaxation due to the presence of an energy barrier between different m J states.…”

Section: Introductionmentioning

confidence: 99%

Field Induced Slow Magnetic Relaxation in a Non Kramers Tb(III) Based Single Chain Magnet

Kharwar¹,

Mondal²,

Konar³

2018

Magnetochemistry

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Herein, we report a novel Tb(III) single chain magnet with the chemical formulae [Tb(μ-OH2)(phen)(μ-OH)(nb)2]n by using 4-nitrobenzoic acid (Hnb) and 1,10-phenanthroline (phen) as ligand system. The single-crystal X-ray diffraction reveals that 4-nitrobenzoic acid acts as a monodentate ligand, water and hydroxyl ions are the bridging ligand and the phen serves as a bidentate chelating ligand. The static magnetic susceptibility measurement (from 2 K to 300 K) shows ferromagnetic interaction at very low temperature (below 6 K). The alternating current (AC) susceptibility data of the complex show temperature and frequency dependence under an applied 2000 Oe DC (direct current) field. The phen moiety behaves as an antenna and enables the complex to show the green light fluorescence emission by absorption-energy transfer-emission mechanism. To calculate the exchange interaction, broken symmetry density functional theory (BS-DFT) calculations have been performed on a model compound which also reveals weak ferromagnetic interaction. Ab initio calculations reveals the anisotropic nature (gz = 15.8, gy, gy = 0) of the metal centre and the quasi doublet nature of ground state with small energy gap and that is well separated from the next excited energy state.

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“…The magnetic properties of matter are at the heart of several devices of routine use in our life, like, for instance, electric motors, magnetic tapes, diagnostic devices, computer memories and data storages. Pushed by the need of device miniaturization, there has been recently a strong impulse to the research in the field, following the idea of exploiting molecules or molecular aggregates, rather than bulk materials [1][2][3][4][5][6][7][8][9]. The discovery of the giant magneto-resistive effect by Peter Grunberg and Albert Fert is paving the route toward the construction of a new generation of hard disks and spintronic devices (see for instance References [ [10][11][12][13][14][15][16][17][18][19]], just to cite few recent examples), and this has, in turn, stimulated new experimental and theoretical investigations of magnetic molecular species.…”

Section: Introductionmentioning

confidence: 99%

Magnetic gaps in organic tri-radicals: From a simple model to accurate estimates

Barone

Cacelli

Ferretti

et al. 2017

The Journal of Chemical Physics

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The calculation of the energy gap between the magnetic states of organic poly-radicals still represents a challenging playground for quantum chemistry, and high-level techniques are required to obtain accurate estimates. On these grounds, the aim of the present study is twofold. From the one side, it shows that, thanks to recent algorithmic and technical improvements, we are able to compute reliable quantum mechanical results for the systems of current fundamental and technological interest. From the other side, proper parameterization of a simple Hubbard Hamiltonian allows for a sound rationalization of magnetic gaps in terms of basic physical effects, unraveling the role played by electron delocalization, Coulomb repulsion, and effective exchange in tuning the magnetic character of the ground state. As case studies, we have chosen three prototypical organic tri-radicals, namely, 1,3,5-trimethylenebenzene, 1,3,5-tridehydrobenzene, and 1,2,3-tridehydrobenzene, which differ either for geometric or electronic structure. After discussing the differences among the three species and their consequences on the magnetic properties in terms of the simple model mentioned above, accurate and reliable values for the energy gap between the lowest quartet and doublet states are computed by means of the so-called difference dedicated configuration interaction (DDCI) technique, and the final results are discussed and compared to both available experimental and computational estimates.

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Nanoscopic molecular magnets

Cited by 81 publications

References 208 publications

Modulating the Slow Relaxation Dynamics of Binuclear Dysprosium(III) Complexes through Coordination Geometry

Modulating the Slow Relaxation Dynamics of Binuclear Dysprosium(III) Complexes through Coordination Geometry

Field Induced Slow Magnetic Relaxation in a Non Kramers Tb(III) Based Single Chain Magnet

Magnetic gaps in organic tri-radicals: From a simple model to accurate estimates

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