Interplay between H-bonding and metal coordination in tetraphosphonate cavitands
نویسندگان
چکیده
منابع مشابه
Cr-Cr Quintuple Bonds: Ligand Topology and Interplay Between Metal-Metal and Metal-Ligand Bonding.
Chromium-chromium quintuple bonds seem to be approaching the lower limit for their bond distances, and this computational density functional theory study tries to explore the geometrical and electronic factors that determine that distance and to find ways to fine-tune it via the ligand choice. While for monodentate ligands the Cr-Cr distance is predicted to shorten as the Cr-Cr-L bond angle inc...
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In the last decades, combining the properties of a transition-metal ion with those of a covalently linked, molecular cavity has attracted a great deal of attention. Numerous studies focused on the design and synthesis of systems exploiting the binding properties of a receptor moiety attached to an active metal site, with the aim of mimicking nature’s metal-containing catalysts: metalloenzymes. ...
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MP2 calculations with cc-pVTZ basis set were used to analyze intermolecular interactions in F3CX···YLi···NCCN and F3CX···NCCN···LiY triads (X = Cl, Br; Y = CN, NC) which are connected via halogen and lithium bonds. Those complexes with the role of LiY as halogen acceptor and lithium donor show cooperativity with energy values ranging between -1.97 and -2.92 kJ mol...
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ژورنال
عنوان ژورنال: Acta Crystallographica Section A Foundations of Crystallography
سال: 2010
ISSN: 0108-7673
DOI: 10.1107/s0108767310094444