Publicaciones de Rogue Scholar

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Publicado in Henry Rzepa's Blog

The chemical bond zoo is relatively small (the bond being a somewhat fuzzy concept, I am not sure there is an actual count of occupants). So when two new candidates come along, it is worth taking notice. I have previously noted the Chemical Bonds at the 21st Century-2017: CB2017 Aachen conference, where both were discussed.

Publicado in Henry Rzepa's Blog

It is always interesting to observe conference experiments taking place. The traditional model involves travelling to a remote venue, staying in a hotel, selecting sessions to attend from a palette of parallel streams and then interweaving chatting to colleagues both old and new over coffee, lunch, dinner or excursions.

Publicado in Henry Rzepa's Blog

The previous post demonstrated the simple iso-electronic progression from six-coordinate carbon to five coordinate nitrogen. Here, a further progression to oxygen is investigated computationally. The systems are formally constructed from a cyclobutadienyl di-anion and firstly the HO 5+ cation, giving a tri-cationic complex. There are no examples of the resulting motif in the Cambridge structure database.

Publicado in Henry Rzepa's Blog

A few years back I followed a train of thought here which ended with hexacoordinate carbon, then a hypothesis rather than a demonstrated reality. That reality was recently confirmed via a crystal structure, DOI:10.5517/CCDC.CSD.CC1M71QM[cite]10.1002/anie.201608795[/cite]. Here is a similar proposal for penta-coordinate nitrogen. First, a search of the CSD (Cambridge structure database) for such nitrogen.

Publicado in Henry Rzepa's Blog

On February 6th I was alerted to this intriguing article[cite]10.1038/nchem.2716[/cite] by a phone call, made 55 minutes before the article embargo was due to be released. Gizmodo wanted to know if I could provide an (almost) instant quote. After a few days, this report of a stable compound of helium and sodium still seems impressive to me and I now impart a few more thoughts here.

Publicado in Henry Rzepa's Blog

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.