The flexibility of molecular components as a suitable tool in designing extended magnetic systems

Rodrı́guez-Martı́n, Yolanda; Hernández-Molina, Marı́a; Delgado, Fernando; Pasán, Jorge; Ruíz-Pérez, Catalina; Sanchiz, Joaquı́n; Lloret, Francesc; Julve, Miguel

doi:10.1039/b203506p

Cited by 79 publications

(44 citation statements)

References 73 publications

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“…[1,2] In homometallic systems, either ferromagnetic or antiferromagnetic behaviours can occur depending on the bridging ligand shape, bridging angles, and other factors. [3] Although high spin multiplicities of the ground state, along with ferromagnetic behaviour, have been achieved by applying the concept of strict orthogonality [4] between two magnetic orbitals in designing molecules, the rational design and synthesis of novel metal clusters with large ground spin-states is still a challenging and central topic in the field of molecular magnetism. The development of new metalloligands, [2,5] which have been found to play an important role not only in mediating magnetic interactions but also in introducing a catalytic site in metal assembled complexes, is undoubtedly one of best methods for meeting this challenge.…”

Section: Introductionmentioning

confidence: 99%

Rational Design of a Ferromagnetic Trinuclear Copper(II) Complex with a Novel in‐situ Synthesised Metalloligand

Tong

et al. 2003

Eur J Inorg Chem

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Section: Introductionmentioning

confidence: 99%

Rational Design of a Ferromagnetic Trinuclear Copper(II) Complex with a Novel in‐situ Synthesised Metalloligand

Tong

et al. 2003

Eur J Inorg Chem

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“…As it is usual for Cu(II) to form square planar complexes with bi-dendate ligands without steric hindrance, 41,42 we sought to determine the nature of the distortion by exploring these structures with other basis sets. Because the issue of dihedral angle (/) is important, we define a coordinate system using the four C atoms labeled in Figure 1d that exactly reflects the angle between the two planar curcumin ligands.…”

Section: Geometrymentioning

confidence: 99%

Density functional theory investigation of Cu(I)‐ and Cu(II)‐curcumin complexes

2010

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Density functional theory is used to obtain the lowest energy geometries of bis-aqua curcumin complexes and bis-curcumin complexes of Cu(I) and Cu(II). Three conformations of curcumin, obtained by rotation of the substituted aromatic groups, were considered in each case. Steric repulsion, due to the methoxy–methoxy interactions, was found to be an important factor in determining the lowest energy conformer of Cu(II)(curcumin)2 but was less important for the Cu(I) analog. Using a sufficiently large basis set, the results show that the lowest energy Cu(II)(curcumin)2 geometry is square planar around the copper atom, in contrast to the results from a previous study (Shen et al. THEOCHEM-J Mol Struct 2005, 757, 199). In addition, other studies suggested that the formation of this complex is followed by the reduction of Cu(II) to Cu(I). We also examined the singly occupied molecular orbital, spin density, and natural bond orbitals of Cu(II)(curcumin)2. While the former two analyses show little evidence of electron transfer from curcumin into the Cu center, the latter indicates that Cu(II) is partially reduced to Cu(I) as a consequence of complexation. Finally, we consider the bis-aqua curcumin and bis-curcumin complexes on a reaction path involving progressive displacement of water molecules by curcumin ligands. The results show that the bis-curcumin complex is the most stable Cu(II) complex, showing consistently exothermic steps in the reaction path. However, for Cu(I), the final step in the reaction path is essentially thermoneutral, indicating that the 1:1 and 1:2 Cu(I) complexes are equally stable thermodynamically.

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“…Ruiz-Perez and collaborators have reported the structure of [Cu 2 (mal) 2 (4,4 0 -bpy)(H 2 O) 2 ] (mal = malonate), which possesses a chiral 2-D polymeric structure based on [Cu 4 (malonate) 4 ] squares linked into a larger square grid through the rigid-rod organodiimine tethers [15]. Ferromagnetic coupling within the [Cu 4 (mal) 4 ] squares is mediated by the carboxylate groups of malonate ligands, which link neighboring divalent Cu centers in a syn-anti fashion; very weak antiferromagnetic coupling was observed through the 4,4 0 -bpy linkers.…”

mentioning

confidence: 99%

Structure and magnetic properties of a copper malonate/dipyridylamine layered coordination polymer with both syn–anti and anti–anti copper carboxylate chains

Montney

LaDuca

2007

Inorganic Chemistry Communications

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The flexibility of molecular components as a suitable tool in designing extended magnetic systems

Cited by 79 publications

References 73 publications

Rational Design of a Ferromagnetic Trinuclear Copper(II) Complex with a Novel in‐situ Synthesised Metalloligand

Rational Design of a Ferromagnetic Trinuclear Copper(II) Complex with a Novel in‐situ Synthesised Metalloligand

Density functional theory investigation of Cu(I)‐ and Cu(II)‐curcumin complexes

Structure and magnetic properties of a copper malonate/dipyridylamine layered coordination polymer with both syn–anti and anti–anti copper carboxylate chains

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