Beitrag zur Konstitution anorganischer Verbindungen

Werner, Alfred

doi:10.1002/zaac.18930030136

Cited by 466 publications

(310 citation statements)

References 4 publications

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“…Such relatively minor interactions between these cluster atoms mean that the bonding network could be illustrated in Werner's sense of coordination a Bond distances and numbers of contacts for each interaction as well as −ICOHP/bond for monoclinic {RuLa 3 }X 3 (X = "Br", I) are listed in the Supporting Information, Tables S6 and S7. networks. 7 Nevertheless, Schafer's and von Schnering's traditional way of "drawing lines" is still a useful guide to recognize cluster coordination networks even though La−La-bonding is a minor structural component. 51 It is worth noting that the La−Ir interactions are mainly situated from −5.5 to −3.0 eV, while the La−Ru-bonding interactions range between −3.2 and −1.6 eV.…”

Section: Resultsmentioning

confidence: 99%

Identifying a Structural Preference in Reduced Rare-Earth Metal Halides by Combining Experimental and Computational Techniques

et al. 2012

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The structures of two new cubic {TnLa 3 }Br 3 (Tn = Ru, Ir; I4 1 32, Z = 8; Tn = Ru: a = 12.1247(16) Å, V = 1782.4(4) Å 3 ; Tn = Ir: a = 12.1738(19) Å, V = 1804.2(5) Å 3 ) compounds belonging to a family of reduced rare-earth metal halides were determined by single-crystal X-ray diffraction. Interestingly, the isoelectronic compound {RuLa 3 }I 3 crystallizes in the monoclinic modification of the {TnR 3 }X 3 family, while {IrLa 3 }I 3 was found to be isomorphous with cubic {PtPr 3 }I 3 . Using electronic structure calculations, a pseudogap was identified at the Fermi level of {IrLa 3 }Br 3 in the new cubic structure. Additionally, the structure attempts to optimize (chemical) bonding as determined through the crystal orbital Hamilton populations (COHP) curves. The Fermi level of the isostructural {RuLa 3 }Br 3 falls below the pseudogap, yet the cubic structure is still formed. In this context, a close inspection of the distinct bond frequencies reveals the subtleness of the structure determining factors. ABSTRACT: The structures of two new cubic {TnLa 3 }Br 3 (Tn = Ru, Ir; I4 1 32, Z = 8; Tn = Ru: a = 12.1247(16) Å, V = 1782.4(4) Å 3 ; Tn = Ir: a = 12.1738(19) Å, V = 1804.2(5) Å 3 ) compounds belonging to a family of reduced rare-earth metal halides were determined by single-crystal X-ray diffraction. Interestingly, the isoelectronic compound {RuLa 3 }I 3 crystallizes in the monoclinic modification of the {TnR 3 }X 3 family, while {IrLa 3 }I 3 was found to be isomorphous with cubic {PtPr 3 }I 3 . Using electronic structure calculations, a pseudogap was identified at the Fermi level of {IrLa 3 }Br 3 in the new cubic structure. Additionally, the structure attempts to optimize (chemical) bonding as determined through the crystal orbital Hamilton populations (COHP) curves. The Fermi level of the isostructural {RuLa 3 }Br 3 falls below the pseudogap, yet the cubic structure is still formed. In this context, a close inspection of the distinct bond frequencies reveals the subtleness of the structure determining factors.

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Section: Resultsmentioning

confidence: 99%

Identifying a Structural Preference in Reduced Rare-Earth Metal Halides by Combining Experimental and Computational Techniques

et al. 2012

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“…1). 10 This geometrical preference at the metal can be used to control the spatial orientation of coordinating ligands. In one approach ligands are introduced which posses several monodentate binding sites.…”

Section: Introductionmentioning

confidence: 99%

Symmetry Driven Self-Assembly of Metallo-Supramolecular Architectures

Albrecht¹,

Fröhlich²

2007

Bulletin of the Chemical Society of Japan

112

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The self-assembly of well-defined metallosupramolecular aggregates highly depends on the symmetry of the ligands as well as of the metals. Approaches in which symmetry considerations allow the stepwise-''hierarchical''-assembly of helicate-type complexes from very simple catechol derivatives are described. In addition helicates and meso-helicates are stereoselectively obtained by the use of linear ligands possessing the relevant symmetry element for the formation of either diastereomer (even-odd principle). In case of helicates, this allows the preparation of enantiomerically pure complexes. Finally, the self-assembly of tetrahedral M 4 L 4 complexes is described using either constrained flexible or highly predisposed rigid ligands.

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“…Werner, at the end of the XIX century 23 , carried out the first studies involving the coordinative bonding between metal ions and ligands. This bonding can possess different binding energies and can be as strong as the covalent bonding.…”

Section: Principles Of Programming Language Related To Supramolecularmentioning

confidence: 99%

Self-assembly in self-organized inorganic systems: a view of programmed metallosupramolecular architectures

Machado¹,

Baxter²,

Lehn³

2001

J. Braz. Chem. Soc.

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Os avanços recentes das pesquisas na área de sistemas inorgânicos automontados são resumidos neste artigo de revisão, em especial aqueles envolvendo os metalo-helicatos, os metaloexorreceptores e as arquiteturas inorgânicas formadas a partir de componentes múltiplos. As aplicações, assim como as perspectivas vislumbradas para estes sistemas, são também discutidas.This review summarizes the recent advances that have been performed on self-assembled inorganic systems, especially on helical systems, metallo-exoreceptors and on architectures formed from multiple components. In addition, applications as well as the perspectives for these designed systems are also discussed.

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Beitrag zur Konstitution anorganischer Verbindungen

Cited by 466 publications

References 4 publications

Identifying a Structural Preference in Reduced Rare-Earth Metal Halides by Combining Experimental and Computational Techniques

Identifying a Structural Preference in Reduced Rare-Earth Metal Halides by Combining Experimental and Computational Techniques

Symmetry Driven Self-Assembly of Metallo-Supramolecular Architectures

Self-assembly in self-organized inorganic systems: a view of programmed metallosupramolecular architectures

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