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Shen, Xiaoping; Li, Baolong; Zhang, Jianzhong; Xu, Zheng; Yu, Yunpeng; Liu, Shixiong

doi:10.1023/a:1015071414842

Cited by 55 publications

(34 citation statements)

References 12 publications

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“…Full structure Dinuclear model Full structure (4) Equation (2) ] Equation (2) Equation (4) Equation (2) Equation (4 -3.5 [10] www.eurjic.orgstronger than those in complex 2-Y, which is consistent with the experimental results. It can be seen that the calculated J values are qualitatively correct (indeed, some are in good agreement with the experimental ones) and empirically scale the J with respect to experiments.…”

Section: -La 1-y Dinuclear Modelsupporting

confidence: 82%

“…[1][2][3][4][5][6][7][8][9][10][11][12][13][14][15] Among these singlemolecule magnets, heteropolynuclear transition-metal and rare-earth mixed complexes are of great interest due to their interesting structures and magnetic properties. [14,15] In a recent experimental study, Liu et al [10] considered that the substitution of the central La III ion with Y III will decrease the antiferromagnetic exchange coupling interactions between the two nearest Cu II ions in [LaCu 6 (µ-OH) 3 (HL) 2 -(L) 4 ](ClO 4 ) 2 ·25H 2 O [15] and [YCu 6 (µ-OH) 3 (HL) 2 (L) 4 ]-(ClO 4 ) 2 ·25H 2 O [14] (H 2 L = iminodiacetic acid) clusters and that the direct overlap of Cu orbitals plays a minor role since this would enhance the antiferromagnetic coupling at shorter Cu···Cu separations. However, the above conclusions are not correct according to our calculations.…”

Section: Introductionmentioning

confidence: 99%

See 1 more Smart Citation

A Theoretical Study of the Nearest Cu···Cu Antiferromagnetic Exchange Coupling Interactions in [LaCu₆] and [YCu₆]

Zhang

Luo

2007

Eur J Inorg Chem

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A density functional study of the exchange coupling interactions between the two nearest Cu II centers in [LaCu 6 ] and [YCu 6 ] is presented. Two approaches show that the Cu···Cu antiferromagnetic interactions increase with a decrease of the ionic radius of the diamagnetic central La III and Y III ions. However, the influence of the central ions on the Cu···Cu interactions is small compared to that of their structures according to our calculations. We therefore conclude that the stronger antiferromagnetic interactions between the two

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Section: -La 1-y Dinuclear Modelsupporting

confidence: 82%

Section: Introductionmentioning

confidence: 99%

A Theoretical Study of the Nearest Cu···Cu Antiferromagnetic Exchange Coupling Interactions in [LaCu₆] and [YCu₆]

Zhang

Luo

2007

Eur J Inorg Chem

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“…[15] Metal salen complexes form interesting complexes of varying nuclearity and dimensionality [16] which exhibits a high ferrimagnetic spin ground state of S t = 21/2 arising from antiferromagnetic interactions. [17] Although, [(salen)Mn III ] + units are incorporated as a source of single-ion magnetic anisotropy, this heptanuclear complex does not behave as a SMM. [18] Trinuclear complexes of the tert-butyl triplesalen derivative H 6 talen tBu 2 (Scheme 2 a) are not flat but bowl-shaped (Scheme 2 b).…”

mentioning

confidence: 99%

Property‐Oriented Rational Design of Single‐Molecule Magnets: A C₃‐Symmetric Mn₆Cr Complex based on Three Molecular Building Blocks with a Spin Ground State of S_t=21/2

et al. 2006

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Single-molecule magnets (SMMs) are a class of coordination compounds that attract attention because of their magnetic bistability.[1] These finite-size molecules show a slow relaxation of the magnetization at low temperatures owing to an energy barrier for spin reversal resulting in a hysteresis of the magnetization which is of purely molecular origin. [2, 3] SMMs promise access to dynamic random access memory (RAM) devices for quantum computing and to ultimate high-density memory storage devices in which each bit of digital information might be stored on a single molecule.[4] The energy barrier (D S t ·S t 2 ) for spin reversal arises from the combination of a high spin ground state S t and a magnetic anisotropy of the easy-axis type (negative zero-field splitting parameter D S t ). [2,5] Since the discovery of the fascinating SMM behavior of Mn 12 , a lot of synthetic efforts have been devoted to the preparation of new molecules with an increased anisotropy barrier and impressive new structural motives have been reported. [6] The necessary requirements for SMMs are a high spin ground state S t and a strong magnetic anisotropy D S t . To rationally design polynuclear complexes with high spin ground states S t , a control of the exchange couplings is highly desirable. The main component of the magnetic anisotropy of the ground state (D S t ) usually comes from the projection of the single-site anisotropies (D i ) onto the spin ground state S t , while dipolar and anisotropic interactions yield only minor contributions. [7,8] Since zero-field splittings are tensor quantities, the projection of the single-site zerofield splittings onto the spin ground state may vanish when the metal-ion arrangement approaches a cubic symmetry. Thus, a rational design of SMMs requires a control of the molecular topology which can not be achieved by simply increasing the nuclearity of complexes and using small bridging ligands. Another prerequisite for a SMM to function as a data storage is the minimization of the quantum-mechanical magnetization tunneling which provides an alternative pathway for spinreversal and thus the loss of information. This tunneling mechanism is directly related to the rhombic component of the magnetic anisotropy expressed by E S t which is exactly zero for complexes with at least a threefold axis. Thus, there are several requirements for a targeted synthesis of SMMs which must be considered when designing a polynucleating ligand of low flexibility.We have designed the C 3 -symmetric triplesalen ligand C (Scheme 1) which combines the phloroglucinol bridging unit (A) with the coordination environment of a salen ligand (B). [9] In trinuclear Cu II [10] and Mo V [11] complexes the phloroglucinol bridging unit A acts as a ferromagnetic coupler by the spin-polarization mechanism. To introduce magnetic anisotropy we have been choosing a salen-like coordination environment B which causes a pronounced magnetic anisotropy through its strong ligand field in the basal plane. [8,12] A well documented example is t...

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“…However, it is closer to a capped trigonal prism rather than other polyhedra according to the dihedral angles analysis (Table S2) [44,45]. A formation of heptanuclear cluster [{Mn III SB} 6 M(CN) n ] + was earlier reported only for heptacyanocomplexes [33,46,47]. 8574(53) and 2.7843(54) Å, respectively.…”

Section: Crystal Structure Descriptionmentioning

confidence: 71%

Assembly of Mn(III) Schiff Base Complexes with Heptacyanorhenate (IV)

Sukhikh

Vostrikova

2017

Inorganics

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Cited by 55 publications

References 12 publications

A Theoretical Study of the Nearest Cu···Cu Antiferromagnetic Exchange Coupling Interactions in [LaCu₆] and [YCu₆]

A Theoretical Study of the Nearest Cu···Cu Antiferromagnetic Exchange Coupling Interactions in [LaCu₆] and [YCu₆]

Property‐Oriented Rational Design of Single‐Molecule Magnets: A C₃‐Symmetric Mn₆Cr Complex based on Three Molecular Building Blocks with a Spin Ground State of S_t=21/2

Assembly of Mn(III) Schiff Base Complexes with Heptacyanorhenate (IV)

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Untitled

Cited by 55 publications

References 12 publications

A Theoretical Study of the Nearest Cu···Cu Antiferromagnetic Exchange Coupling Interactions in [LaCu6] and [YCu6]

A Theoretical Study of the Nearest Cu···Cu Antiferromagnetic Exchange Coupling Interactions in [LaCu6] and [YCu6]

Property‐Oriented Rational Design of Single‐Molecule Magnets: A C3‐Symmetric Mn6Cr Complex based on Three Molecular Building Blocks with a Spin Ground State of St=21/2

Assembly of Mn(III) Schiff Base Complexes with Heptacyanorhenate (IV)

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A Theoretical Study of the Nearest Cu···Cu Antiferromagnetic Exchange Coupling Interactions in [LaCu₆] and [YCu₆]

A Theoretical Study of the Nearest Cu···Cu Antiferromagnetic Exchange Coupling Interactions in [LaCu₆] and [YCu₆]

Property‐Oriented Rational Design of Single‐Molecule Magnets: A C₃‐Symmetric Mn₆Cr Complex based on Three Molecular Building Blocks with a Spin Ground State of S_t=21/2