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Posts by Igor Roncevic

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First half-Möbius molecule made Twisted structure is an unprecedented case of a compound that becomes aromatic by breaking its own symmetry

This unusual half-Möbius molecule is the first example of a structure that becomes more aromatic as it becomes less symmetric.

1 month ago 9 1 0 0
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First ‘half Möbius’ carbon chain wows chemists The looped molecule’s unusual shape could unlock strange physical properties

The Möbius strip, a twisted loop with one continuous surface, is inspiring chemists to create novel molecular structures.

go.nature.com/4u3KJAq

1 month ago 29 2 0 0
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Global Aromatic Ring Currents in Neutral Porphyrin Nanobelts The ability of a ring-shaped molecule to sustain a global aromatic or antiaromatic ring current when placed in a magnetic field indicates that its electronic wave function is coherently delocalized ar...

We noticed the same when modelling systems with extended conjugation, and ended up with w=0.025, see here: pubs.acs.org/doi/full/10....

1 month ago 1 0 1 0
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A molecule with half-Möbius topology Stereoisomers of C13Cl2 exhibiting helical orbitals around a ring of carbon atoms were synthesized by atom manipulation on NaCl surfaces. We resolved the enantiomeric geometries of the singlet states ...

We did some pretty twisted stuff and Science liked it: www.science.org/doi/10.1126/...

1 month ago 13 4 1 0
Video

Can I flip it? Yes you can!

Elusive pillar[5]arene conformation formed by flipping an aromatic ring with mechanical force!

An @angewandtechemie.bsky.social hat trick for Lei with the help of @tomasnicolas.bsky.social and @ironcevic.bsky.social !

Read at doi.org/10.1002/anie.202516485

#chemsky

7 months ago 20 3 0 0
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Solution-phase stabilization of a cyclocarbon by catenane formation Cyclo[N]carbons, molecular rings consisting solely of N carbon atoms, have previously been studied in the gas phase and on surfaces at cryogenic temperatures, but they are generally considered too rea...

In @science.org this week, Harry Anderson's group finally put their cyclic carbon allotrope into solution. The, well, solution to getting it there? Protection by catenation--have a look!

chemsky🧪

www.science.org/doi/10.1126/...

8 months ago 55 9 0 5
CHARMM-GUI

🚨 All right, since this is a place of sanity now, let’s kick things off with an open PhD position in my team to work on simulating glycans and their interactions. If you’re passionate about computational biophysics and glycobiology, go ahead and apply! Any shares would be greatly appreciated. 🙃

1 year ago 15 16 1 0