Search results for "Molecular architecture"

showing 2 items of 2 documents

A synthetic molecular pentafoil knot

2011

Knots are being discovered with increasing frequency in both biological and synthetic macromolecules and have been fundamental topological targets for chemical synthesis for the past two decades. Here, we report on the synthesis of the most complex non-DNA molecular knot prepared to date: the self-assembly of five bis-aldehyde and five bis-amine building blocks about five metal cations and one chloride anion to form a 160-atom-loop molecular pentafoil knot (five crossing points). The structure and topology of the knot is established by NMR spectroscopy, mass spectrometry and X-ray crystallography, revealing a symmetrical closed-loop double helicate with the chloride anion held at the centre…

Models MolecularMagnetic Resonance SpectroscopyMacromolecular SubstancesPyridinesStereochemistryIronGeneral Chemical EngineeringCatenaneContext (language use)Crystallography X-RayLigandsChloridesMolecular knotAminesta116Topology (chemistry)Trefoil knotAldehydesMolecular StructurePolymer scienceHydrogen bondChemistryDNAGeneral ChemistryMechanically interlocked molecular architecturesIminesKnot (mathematics)Nature Chemistry
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Design of carborane molecular architectures with electronic structure computations: From endohedral and polyradical systems to multidimensional netwo…

2009

11 pags, 6 figs. -- 19th International Conference on Physical Organic Chemistry (ICPOC-19) 13–18 July 2008, Santiago de Compostela, Spain

SingletComputational chemistryIcosahedral symmetryChemistryCASPT2General Chemical EngineeringComputationQuantum chemical computationsMolecular architectureGeneral ChemistryElectronic structureCASSCFDFTElectronic structuresTripletBiradicalsDianionsComputational chemistryAtomCarboraneSinglet stateDimersCarboranes
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