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Henry Rzepa's Blog

Henry Rzepa's Blog
Chemistry with a twist
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The upcoming ACS national meeting in San Diego has a CHED (chemical education division) session entitled Implementing Discovery-Based Research Experiences in Undergraduate Chemistry Courses. I had previously explored what I called extreme gauche effects in the molecule F-S-S-F. Here I take this a bit further to see what else can be discovered about molecules containing bonds between group 16 elements (QA= O, S, Se, Te).

Published

Hypervalency is defined as a molecule that contains one or more main group elements formally bearing more than eight  electrons in their  valence shell. One example of a molecule so characterised was CLi 6 [cite]10.1038/355432a0[/cite] where the description "“ carbon can expand its octet of electrons to form this relatively stable molecule “ was used.

Published

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.[cite]10.1016/S1631-0748(02)01380-2[/cite] Here I explore such isomerism for the elements Ge, Sn and Pb. In one earlier post, I noted a form of bond stretch isomerism that can arise from a Jahn-Teller distortion ending in two different

Published

I attended the first (of a proposed five) workshops organised by LEARN (an EU-funded project that aims to .. .Raise awareness in research data management (RDM) issues & research policy ) on Friday. Here I give some quick bullet points relating to things that caught my attention and or interest. The program (and Twitter feed) can be found at https://learnrdm.wordpress.com where other's comments can also be seen.

Published

Six years ago, I posted on the nature of a then recently reported[cite]10.1002/anie.200803859[/cite] Cr-Cr quintuple bond. The topic resurfaced as part of the discussion on a more recent post on NSF 3 , and a sub-topic on the nature of the higher order bonding in C 2 . The comment made a connection between that discussion and the Cr-Cr bond alluded to above.

Published

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 states involved. Earlier posts dealt with how one can construct quantum-chemical models of these transition states that fit the known properties of the reactions.

Published

The post on applying VSEPR ("valence shell electron pair repulsion") theory to the geometry of ClF 3 has proved perennially popular. So here is a follow-up on another little molecue, F 3 SN. As the name implies, it is often represented with an S≡N bond. Here I take a look at the conventional analysis. This is as follows: Six valence electrons on the central S atom.

Published

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 models for both water and the general base catalysed ionization of indolinones.