2003
DOI: 10.1021/ic026179r
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Tailor-Made Strong Exchange Magnetic Coupling through Very Long Bridging Ligands:  Theoretical Predictions

Abstract: Computational methods based on density functional theory have been applied to a prospective study of dinuclear transition metal complexes that may show strong exchange coupling interactions through very long bridging ligands. The results indicate that M(III) complexes (being M= Cr, Mn or Fe) with dicyanamidobenzene-type ligands are specially promising for this purpose, since strong ferromagnetic or antiferromagnetic coupling is predicted between paramagnetic metal cations at distances as long as 25 A. The exis… Show more

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Cited by 28 publications
(20 citation statements)
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“…Their results indicate that strong antiferromagnetic and ferromagnetic coupling is expected to occur through [1,4-dicyd] 2À or [1,3-dicyd] 2À bridges, respectively. [4] Although the use of bond lengths and angles for the Ru compounds is clearly an approximation, the general trends provide excellent incentive for researchers to explore open framework magnetic solids with long-range magnetic ordering due to the possibility of strong superexchange over long distances ( Figure 1).We have been studying the coordination chemistry of TCNQ for many years and have reported numerous examples of coordination polymers based on the singly reduced TCNQ radical anion. [2g, h, 5] We previously developed a new approach for the generation of metal/TCNQ 2À and metal/DCNQI 2À coordination polymers by binding metal ions to in situ generated TCNQ 2À or DCNQI 2À through deprotonation of H 2 TCNQ or H 2 DCNQI.…”
mentioning
confidence: 99%
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“…Their results indicate that strong antiferromagnetic and ferromagnetic coupling is expected to occur through [1,4-dicyd] 2À or [1,3-dicyd] 2À bridges, respectively. [4] Although the use of bond lengths and angles for the Ru compounds is clearly an approximation, the general trends provide excellent incentive for researchers to explore open framework magnetic solids with long-range magnetic ordering due to the possibility of strong superexchange over long distances ( Figure 1).We have been studying the coordination chemistry of TCNQ for many years and have reported numerous examples of coordination polymers based on the singly reduced TCNQ radical anion. [2g, h, 5] We previously developed a new approach for the generation of metal/TCNQ 2À and metal/DCNQI 2À coordination polymers by binding metal ions to in situ generated TCNQ 2À or DCNQI 2À through deprotonation of H 2 TCNQ or H 2 DCNQI.…”
mentioning
confidence: 99%
“…Using the structural parameters from X‐ray studies of Crutchley’s compounds, Ruiz and co‐workers performed DFT calculations on hypothetical dinuclear trivalent 3D transition‐metal model compounds. Their results indicate that strong antiferromagnetic and ferromagnetic coupling is expected to occur through [1,4‐dicyd] 2− or [1,3‐dicyd] 2− bridges, respectively 4. Although the use of bond lengths and angles for the Ru compounds is clearly an approximation, the general trends provide excellent incentive for researchers to explore open framework magnetic solids with long‐range magnetic ordering due to the possibility of strong superexchange over long distances (Figure 1).…”
mentioning
confidence: 99%
“…This indicates that almost no coupling occurs between the nickel(II) atoms in complexes 3-5, in agreement with the X-ray structural data giving 8.138 Å for the NiÁ Á ÁNi shortest distances in 3, 7.010 Å in 4, and 7.686 Å in 5. However, it may be noted that strong exchange coupling interactions at long distance are predicted with very similar ligands as dicyanamidobenzene-type molecules [46].…”
Section: Magnetic Datamentioning
confidence: 99%
“…The basic components of a molecular spintronic circuit are molecular magnetic wires (MWs), which would facilitate the magnetic communication between the spin carriers along the circuit [100,101]. MWs offer a new design concept for the transfer of information over long distances based on EE interactions and without current flow [102][103][104][105][106][107][108][109][110][111][112][113][114][115], in contrast to conventional charge transport-based electronic wires [116][117][118][119][120][121][122], as stated by Lloret [100]. Indeed, setting a long-range magnetic coupling between two distant spin centers connected by a long organic spacer that ultimately extends over infinite distances ("wire-like magnetic coupling") is the cornerstone.…”
Section: Dinuclear Copper(ii) Metallacyclophanes In the Proof-of-concmentioning
confidence: 99%