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Showing posts from 2017

Encouraging to speak in English

Visualizing #CoVFeFe

In principle, this week's blog entry should have been the end of my fun time with #CoVFeFe. But then @stuartcantrill came back with a reference to @Theresa_May:
So, is #CoVFeFe strong and stable, then? — Stuart Cantrill (@stuartcantrill) June 9, 2017 and I realised that I had left out some vital information about the #CoVFeFe cluster: the electronic structure. Therefore, the answer to Stu's question can be short (No) or long:

The molecular orbitals of #CoVFeFe are ordered in the following way (only showing the range from -3 to -5 eV):

From this MO-levels plot, one can see the different contributions from the metals to the different MOs. I have also made figures of what the MOs look like (see below). By far the two most interesting ones are however the following two:

The left one shows a canny resemblance to the haircut of @realdonaldtrump, while right one might be seen as Donald Duck (or maybe I am the only one who sees it like this?).

Long answer:
Returning now to the question…

Exotic chemistry trumps nature

A few weeks ago the Twitter world was surprised by several Tweets where Chemistry played a big role. First of all, @StuartCantrill posted a cry for help:
Can somebody please hurry up and make a cyclic trimer from livermorium – I'm desperate to use 'Bizarre Lv triangle' as a cover line at NChem — Stuart Cantrill (@stuartcantrill) May 26, 2017 A few days later there was a late-night typo by @RealDonaldTrump:
Despite the constant negative press covfefe — Donald J. Trump (@realdonaldtrump) May 30, 2017 which was deleted the next day (but that does not work), and replaced by a challenge:
Who can figure out the true meaning of "covfefe" ??? Enjoy! — Donald J. Trump (@realDonaldTrump) May 31, 2017
This obviously calls for a #CompChem solution, and hence I accepted the challenge and proposed a structure for the cyclic trimer livermorium (at BP86/TZ2P with Spin-Orbit ZORA as done within the ADF program):
something like this?
(cyclic Lv3 trimer with odd orbitals) pic.twit…