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Anion–Anion Interactions in Aerogen-Bonded Complexes. Influence of Solvent Environment

Ab initio calculations are applied to the question as to whether a AeX(5)(−) anion (Ae = Kr, Xe) can engage in a stable complex with another anion: F(−), Cl(−), or CN(−). The latter approaches the central Ae atom from above the molecular plane, along its C(5) axis. While the electrostatic repulsion...

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Pubblicato in:Molecules
Autori principali: Grabarz, Anna, Michalczyk, Mariusz, Zierkiewicz, Wiktor, Scheiner, Steve
Natura: Artigo
Lingua:Inglês
Pubblicazione: MDPI 2021
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Accesso online:https://ncbi.nlm.nih.gov/pmc/articles/PMC8067769/
https://ncbi.nlm.nih.gov/pubmed/33917030
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.3390/molecules26082116
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