Ferromagnetic Coupling in the Three-Dimensional Malonato-Bridged Gadolinium(III) Complex [Gd2(mal)3(H2O)6] (H2mal = Malonic Acid)

Hernández-Molina, Marı́a; Ruíz-Pérez, Catalina; López, Trinidad; Lloret, Francesc; Julve, Miguel

doi:10.1021/ic034175w

Cited by 124 publications

(47 citation statements)

References 34 publications

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“…Solid-state [43,44] Usually only the 139 La central transi- [33] square antiprism OB, OU Ln acac derivatives used as NMR shift reagents; [6][7][8] analogous Nd complex [75] 2 [La(bipyO) 4 [35] tricapped trigonal prism OU, OB numerous similar compounds [35] 4 [La(mal) 2 [36] monocapped square antiprism OB, OU polymeric carboxylate; similar Nd, [77,78] Eu, [79] and Gd [80] [40] monocapped pentagonal antiprism OM, OB crown-ether ligand used to complex metals; [90] analogous Ce, [91] Eu, [92] and Pr [93] [42] bicapped pentagonal prism NM, OB numerous similar complexes [95][96][97][98] [a] acac = acetylacetonate, bipyO = 2,2'-bipyridine-1,1'-dioxide, phen = 1,10-phenanthroline, mal = malonic acid, glut = glutamic acid, TEG = tetraethyleneglycol, N-macro = di(ethane-1,2-diyl)bis(pyridine-2,6-diacetimine).…”

Section: Resultsmentioning

confidence: 99%

An Investigation of Lanthanum Coordination Compounds by Using Solid‐State ¹³⁹La NMR Spectroscopy and Relativistic Density Functional Theory

Willans

Feindel

Ooms

et al. 2005

Chemistry A European J

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Lanthanum-139 NMR spectra of stationary samples of several solid La(III) coordination compounds have been obtained at applied magnetic fields of 11.75 and 17.60 T. The breadth and shape of the 139La NMR spectra of the central transition are dominated by the interaction between the 139La nuclear quadrupole moment and the electric field gradient (EFG) at that nucleus; however, the influence of chemical-shift anisotropy on the NMR spectra is non-negligible for the majority of the compounds investigated. Analysis of the experimental NMR spectra reveals that the 139La quadrupolar coupling constants (C(Q)) range from 10.0 to 35.6 MHz, the spans of the chemical-shift tensor (Omega) range from 50 to 260 ppm, and the isotropic chemical shifts (delta(iso)) range from -80 to 178 ppm. In general, there is a correlation between the magnitudes of C(Q) and Omega, and delta(iso) is shown to depend on the La coordination number. Magnetic-shielding tensors, calculated by using relativistic zeroth-order regular approximation density functional theory (ZORA-DFT) and incorporating scalar only or scalar plus spin-orbit relativistic effects, qualitatively reproduce the experimental chemical-shift tensors. In general, the inclusion of spin-orbit coupling yields results that are in better agreement with those from the experiment. The magnetic-shielding calculations and experimentally determined Euler angles can be used to predict the orientation of the chemical-shift and EFG tensors in the molecular frame. This study demonstrates that solid-state 139La NMR spectroscopy is a useful characterization method and can provide insight into the molecular structure of lanthanum coordination compounds.

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Section: Resultsmentioning

confidence: 99%

An Investigation of Lanthanum Coordination Compounds by Using Solid‐State ¹³⁹La NMR Spectroscopy and Relativistic Density Functional Theory

Willans

Feindel

Ooms

et al. 2005

Chemistry A European J

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“…Here the carboxylate group was of special interest because of its different linking types to the cation [15]. Most of these compounds show antiferromagnetic interactions [16 -27], but for Gd(sal) 3 (H 2 O) (H 2 sal = salicylic acid) [28], Gd 2 (µ 2 -OOCFc) 2 (OOCFc) 4 6 (H 2 mal = malonic acid) [32], and Gd 2 (H 2 O) 2 (DPA) 3 (H 2 DPA = 2,2'-diphenic acid) [33] ferromagnetic interactions were found. Recently we reported on intramolecular ferromagnetic interactions within a dimeric unit on 0932-0776 / 06 / 0600-0699 $ 06.00 c 2006 Verlag der Zeitschrift für Naturforschung, Tübingen · http://znaturforsch.com which intermolecular antiferromagnetic interactions are imposed [34,35].…”

Section: Introductionmentioning

confidence: 99%

Synthesis, Crystal Structure and Magnetic Behaviour of Dimeric and Polymeric Gadolinium Trifluoroacetate Complexes

John

Rohde

Urland

2006

Zeitschrift Für Naturforschung B

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The gadolinium(III) trifluoroacetates ((CH 3 ) 2 NH 2 )[Gd(CF 3 COO) 4 ] (1), ((CH 3 ) 3 NH)[Gd(CF 3 COO) 4 (H 2 O)] (2), Gd(CF 3 COO) 3 (H 2 O) 3 (3) as well as Gd 2 (CF 3 COO) 6 (H 2 O) 2 (phen) 3 · C 2 H 5 OH (4) (phen = 1,10-phenanthroline) were synthesized and structurally characterized by X-ray crystallography. These compounds crystallize in the space group P1 (No. 2, Z = 2) (1, 2 and 4) and P 2 1 /c (No. 14, Z = 4) (3), respectively, with the following lattice constants 1: a = 884.9(2), b = 1024.9(2), c = 1173.1 (2) (5) • . The compounds consist of Gd 3+ ions which are bridged by carboxylate groups either to chains (1 and 2) or to dimers (3 and 4). In addition to the Gd 3+ dimers, compound (4) also contains monomeric Gd 3+ units. The magnetic behaviour of 2 and 3 was investigated in a temperature range of 1.77 to 300 K. The magnetic data for these compounds indicate weak antiferromagnetic interactions.

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“…The magnitude of J is small but is of the same order as other Gd III complexes. [16] The reason for this may be that the 4f electrons lie closer to the metal center than the 5d and 6s electrons and are less influenced by the surrounding environment.…”

Section: Magnetic Propertiesmentioning

confidence: 99%

Synthesis, Crystal Structures, and Magnetic Properties of 2D Manganese(II) and 1D Gadolinium(III) Coordination Polymers with 1H‐1,2,3‐Triazole‐4,5‐dicarboxylic Acid

Shi

Chen

et al. 2006

Eur J Inorg Chem

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Ferromagnetic Coupling in the Three-Dimensional Malonato-Bridged Gadolinium(III) Complex [Gd₂(mal)₃(H₂O)₆] (H₂mal = Malonic Acid)

Cited by 124 publications

References 34 publications

An Investigation of Lanthanum Coordination Compounds by Using Solid‐State ¹³⁹La NMR Spectroscopy and Relativistic Density Functional Theory

An Investigation of Lanthanum Coordination Compounds by Using Solid‐State ¹³⁹La NMR Spectroscopy and Relativistic Density Functional Theory

Synthesis, Crystal Structure and Magnetic Behaviour of Dimeric and Polymeric Gadolinium Trifluoroacetate Complexes

Synthesis, Crystal Structures, and Magnetic Properties of 2D Manganese(II) and 1D Gadolinium(III) Coordination Polymers with 1H‐1,2,3‐Triazole‐4,5‐dicarboxylic Acid

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Ferromagnetic Coupling in the Three-Dimensional Malonato-Bridged Gadolinium(III) Complex [Gd2(mal)3(H2O)6] (H2mal = Malonic Acid)

Cited by 124 publications

References 34 publications

An Investigation of Lanthanum Coordination Compounds by Using Solid‐State 139La NMR Spectroscopy and Relativistic Density Functional Theory

An Investigation of Lanthanum Coordination Compounds by Using Solid‐State 139La NMR Spectroscopy and Relativistic Density Functional Theory

Synthesis, Crystal Structure and Magnetic Behaviour of Dimeric and Polymeric Gadolinium Trifluoroacetate Complexes

Synthesis, Crystal Structures, and Magnetic Properties of 2D Manganese(II) and 1D Gadolinium(III) Coordination Polymers with 1H‐1,2,3‐Triazole‐4,5‐dicarboxylic Acid

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Ferromagnetic Coupling in the Three-Dimensional Malonato-Bridged Gadolinium(III) Complex [Gd₂(mal)₃(H₂O)₆] (H₂mal = Malonic Acid)

An Investigation of Lanthanum Coordination Compounds by Using Solid‐State ¹³⁹La NMR Spectroscopy and Relativistic Density Functional Theory

An Investigation of Lanthanum Coordination Compounds by Using Solid‐State ¹³⁹La NMR Spectroscopy and Relativistic Density Functional Theory