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71 Works
Is CLi6 hypervalent
Henry Rzepa
Results published via Imperial College London
Search Datacite for media types (Gaussian and Mnpub) and specific InChI string
Henry Rzepa
Results published via Imperial College London
How does carbon dioxide coordinate to a metal?
Henry Rzepa
Results published via Imperial College London
Itâs Hexa-coordinate carbon Spock â but not as we know it!
Henry Rzepa
Results published via Imperial College London
re diazomethanes hypervalent molecules? An attempt into more insight by more âtuningâ with substituents. ecollect the suggestion that diazomethane has hypervalent character[1]. When I looked into this, I came to the conclusion that it probably was mildly hypervalent, but on carbon and not nitrogen. Here I try some variations with substituents to see what light if any this casts.
Henry Rzepa
Results published via Imperial College London
Is CLi6 hypervalent? A comment made on the previous post on the topic of hexa-coordinate carbon cited an article entitled âObservation of hypervalent CLi6 by Knudsen-effusion mass spectrometryâ[1] by Kudo as a amongst the earliest of evidence that such species can exist (in the gas phase). It was a spectacular vindication of the earlier theoretical prediction[2],[3] that such 6-coordinate species are stable with respect to dissociation to CLi4 and Li2.
Henry Rzepa
Results published via Imperial College London
Hypervalency
Henry Rzepa
Results published via Imperial College London
The di-anion of dilithium (not the Star Trek variety): Another âHyper-bondâ?
Henry Rzepa
Results published via Imperial College London
Molecule of the year (month/week)?
Henry Rzepa
Results published via Imperial College London
Hypervalency: Third time lucky? ELF analysis of I8.
Henry Rzepa
Results published via Imperial College London
Real hypervalency in a small molecule.
Henry Rzepa
Results published via Imperial College London
First, hexacoordinate carbon â now pentacoordinate nitrogen?
Henry Rzepa
Results published via Imperial College London
Electrides
Henry Rzepa
Results published via Imperial College London
The mystery of the Finkelstein reaction
Henry Rzepa
Results published via Imperial College London
Managing (open) NMR data: a working example using Mpublish.
Henry Rzepa
Results published via Imperial College London
Ï or Ï nucleophilic reactivity of imines? A mechanistic reality check using substituents.
Henry Rzepa
Results published via Imperial College London
ChemBond Challenge: Hypervalancy, Pentacoordinate (Nitrogen) and Molecular electrides
Henry Rzepa
Results published via Imperial College London
How to tame an oxidant: the mysteries of âtpapâ (tetra-n-propylammonium perruthenate).
Henry Rzepa
Results published via Imperial College London
Uncompressed Monovalent Helium
Henry Rzepa
Results published via Imperial College London
n the previous post, I explored the mechanism for nucleophilic substitution at a silicon centre proceeding via retention of configuration involving a Berry-like pseudorotation. Here I probe an alternative route involving inversion of configuration at the Si centre. Both stereochemical modes are known to occur, depending on the leaving group, solvent and other factors.
Henry Rzepa
Results published via Imperial College London
State and Future of the IUPAC InChI, NIH 16-18 August 2017
Henry Rzepa
Results published via Imperial College London
Can a cyclobutadiene and carbon dioxide co-exist in a calixarene cavity?
Henry Rzepa
Results published via Imperial College London
Hyper-chemistry: -valency, -bonds, -coordination and -data (FAIR)
Henry Rzepa
Results published via Imperial College London
FAIR Data blogs
Henry Rzepa
Results published via Imperial College London
Hypervalence and octet-expansion in sulfur hexafluoride.
Henry Rzepa
Results published via Imperial College London
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2017
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Imperial College London
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