Here is another exploration of simple chemical concepts using crystal structures. Consider a simple diene: how does the central C-C bond length respond to the torsion angle between the two C=C bond...Read It Review It
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Previously, I explored deviation from ideal tetrahedral arrangements of four carbon ligands around a central (sp 3) carbon using crystal structures. Now it is the turn of digonal (sp 1) and trigona...Read It Review It
The phenomenon of bond stretch isomerism, two isomers of a compound differing predominantly in just one bond length, is one of those chemical concepts that wax and occasionally wane. Here I explore...Read It Review It
Derek Lowe has a recent post entitled " Another Funny-Looking Structure Comes Through". He cites a recent medchem article in which the following acetal sub-structure appears in a promising drug ...Read It Review It
Could anyone comment on any recent calculated results on the planarity, or lack thereof, of azobenzene?
This question was posted on the CCL (computational chemistry list) by John McKelvey. Here, I give an answer in the form of a search of the CSD (crystal structure database). I was not sure if the qu...Read It Review It
Kinetic isotope effect models as a function of ring substituent for indole-3-carboxylic acids and indolin-2-ones.
The original strategic objective of my PhD researches in 1972-74 was to explore how primary kinetic hydrogen isotope effects might be influenced by the underlying structures of the transition state...Read It Review It
I’ve started so I’ll finish. Kinetic isotope effect models for a general acid as a catalyst in the protiodecarboxylation of indoles.
Earlier I explored models for the heteroaromatic electrophilic protiodecarboxylation of an 3-substituted indole, focusing on the role of water as the proton transfer and delivery agent. Next, came ...Read It Review It
I’ve started so I’ll finish. The ionisation mechanism and kinetic isotope effects for 1,3-dimethylindolin-2 one
This is the third and final study deriving from my Ph.D.. The first two topics dealt with the mechanism of heteroaromatic electrophilic attack using either a diazonium cation or a proton as elec...Read It Review It
I’ve started so I’ll finish. Mechanism and kinetic isotope effects for protiodecarboxylation of indoles.
Another mechanistic study we started in 1972 is here 40+ years on subjected to quantum mechanical scrutiny. The kinetics are again complex, the mechanism involving protonation‡ of the...Read It Review It
The BBC TV quiz series Mastermind was first broadcast in the UK in 1972, the same time I was starting to investigate the mechanism of diazocoupling to substituted indoles as part of my Ph.D. resear...Read It Review It
Source: Wikipedia. CC-BY-SA April this year I blogged about an important SPARQL query for many chemists: getting CAS registry numbers from Wikidata. This is relevant for two reasons: CAS works ...Read It Review It
0000-0002-8635-8390 The anomeric effect is best known in sugars, occuring in sub-structures such as RO-C-OR. Its origins relate to how the lone pairs on each oxygen atom align with the adjacent C-O...Read It Review It