The geometry of calix[3]pyrrole and the formation of the calix[3]pyrrole·F− complex in solution

The accurate determination of the spectral data for strained molecules is challenging, as their geometries in solid state and in solution may differ because the molecules undergo continuous dynamical changes between different conformations. Calix[3]pyrrole, the recently synthesized smallest calixpyr...

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Veröffentlicht in:Theoretical chemistry accounts 2023-05, Vol.142 (5), Article 50
Hauptverfasser: Saha, Ranajit, Pirillo, Jenny, Ide, Yuki, Inokuma, Yasuhide, Hijikata, Yuh
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Sprache:eng
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