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Henry Rzepa's Blog

Henry Rzepa's Blog
Chemistry with a twist
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Crystal_structure_miningInteresting ChemistryChemical BondChemical BondingChemical NomenclatureKimya Bilimleriİngilizce
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Following on from a search for long C-C bonds, here is the same repeated for C=C double bonds.

Crystal_structure_miningInteresting ChemistryAviationBond OrderCarbon–carbon BondKimya Bilimleriİngilizce
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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 ITGeneralAcademiaAuthorChemistKimya Bilimleriİngilizce
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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 MethanolKimya Bilimleriİngilizce
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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: IcelandKimya Bilimleriİngilizce
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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 AngleKimya Bilimleriİngilizce
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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 RecordKimya Bilimleriİngilizce
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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?

Chemical ITCrystal_structure_miningKimya Bilimleriİngilizce
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After sixty years of searching, the first non-templated double helical carbon-free inorganic molecular structure has been reported. That is so neat that I thought to load the 3D coordinates here for you to interact with and then to explore the prospect of using these coordinates to add some value with e.g. some chiroptical calculations.