Nathalie Proos Vedin
@nproosvedin
PhD student in computational organic chemistry, Uppsala University.
ID: 1185620983140573184
19-10-2019 18:17:56
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How to think about npi* states in terms of aromaticity/antiaromaticity? Are they nonaromatic? We make an attempt to analyze such states of regular heteroaromatics (and some unregular). Nathalie Proos Vedin Sílvia Escayola Miquel Solà Uploaded at ChemRxiv chemrxiv.org/engage/chemrxi…
Congratulations and well done Sílvia!!! 🌟👏 I've learnt so much from working with you and enjoyed every minute of it! 😊 Best of luck in the future! 🎉 Sílvia Escayola
Now in The Journal of Physical Chemistry, our paper on how to describe npi* states of heteroaromatics in terms of (anti)aromatic character. The residuals between the pi(alpha) and pi(beta) components are crucial. Great work by Nathalie Proos Vedin & Sílvia Escayola 🧵1/2 pubs.acs.org/doi/10.1021/ac…
Results of the study of npi* triplets in heteroaromatics were presented today by Nathalie Proos Vedin in the #ICESAA3 conference. The paper by @nproosvedin Sílvia Escayola Slavko Randekovic Miquel Solà and Henrik Ottosson (prefer Bluesky) can be found here: pubs.acs.org/doi/10.1021/ac…
Now in the special issue on Physical Organic Chemistry of J Org Chem/Org Lett. We explore which factors determine whether a certain heteroaromatic compound has its first excited states (T1 & S1) of npi* or pipi* character, and identify six factors. More to follow! pubs.acs.org/doi/10.1021/ac…