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Henry Rzepa's Blog

Henry Rzepa's Blog
Chemistry with a twist
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Crystal_structure_miningInteresting ChemistryAviationBond OrderCarbon–carbon BondChemical Sciences
Published

In an earlier post, I searched for small C-C-C angles, finding one example that was also accompanied by an apparently exceptionally long C-C bond (2.18Å). But this arose from highly unusual bonding giving rise not to a single bond order but one closer to one half!

Chemical ITGeneralAcademiaAuthorChemistChemical Sciences
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Another conference, a Cambridge satellite meeting of OpenCon, and I quote here its mission: “OpenCon is a platform for the next generation to learn about Open Access, Open Education, and Open Data, develop critical skills, and catalyze action toward a more open system of research and education” targeted at students and early career academic professionals.

Crystal_structure_miningChemical ShiftsChloroformDeuterated ChloroformDeuterated MethanolChemical Sciences
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Chloroform, often in the deuterated form CDCl3, is a very common solvent for NMR and other types of spectroscopy. Quantum mechanics is increasingly used to calculate such spectra to aid assignment and the solvent is here normally simulated as a continuum rather than by explicit inclusion of one or more chloroform molecules.

Chemical ITActive SiteBill GatesCity: ReykjavikCountry: IcelandChemical Sciences
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This is sent from the Pidapalooza event in Reykjavik, Iceland, and is a short collection of notable things I learnt or which attracted my attention.

Crystal_structure_miningInteresting ChemistryAngleMetalSubtended AngleChemical Sciences
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I am now inverting the previous question by asking what is the largest angle subtended at a chain of three connected 4-coordinate carbon atoms? Let’s see if further interesting chemistry can be unearthed.

Crystal_structure_miningReaction MechanismAnimationBicyclic MoleculeChemical RecordChemical Sciences
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Is asking a question such as “what is the smallest angle subtended at a chain of three connected 4-coordinate carbon atoms” just seeking another chemical record, or could it unearth interesting chemistry?