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Comment on “The Nature of Chalcogen‐Bonding‐Type Tellurium–Nitrogen Interactions”: Fixing the Description of Finite‐Temperature Effects Restores the Agreement Between Experiment and Theory

Mitzel and co‐workers recently presented an intriguing molecule displaying a tellurium–nitrogen interaction. Structural data obtained in the solid and in gas phase indicated a large increase of the Te–N equilibrium distance r (e) from 2.64 to 2.92 Å, respectively. Although some DFT calculations appe...

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Publicat a:Angew Chem Int Ed Engl
Autors principals: Mewes, Jan‐Michael, Hansen, Andreas, Grimme, Stefan
Format: Artigo
Idioma:Inglês
Publicat: John Wiley and Sons Inc. 2021
Matèries:
Accés en línia:https://ncbi.nlm.nih.gov/pmc/articles/PMC8252449/
https://ncbi.nlm.nih.gov/pubmed/33960596
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1002/anie.202102679
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