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In Situ Calculation of the Rotation Barriers of the Methyl Groups of Tribromomesitylene Crystals: Theory Meets Experiment

The computation of the rotation barriers of the methyl groups (Me) of tribromomesitylene (TBM) crystals has been carried out. Experimentally, the barriers of the three Me groups of TBM are found to be high and different. These groups do not experience the same hindering environment in the crystal st...

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Autori principali: Anissa Amar, Soria Zeroual, Xavier Rocquefelte, Abdou Boucekkine
Natura: Artigo
Lingua:Inglês
Pubblicazione: MDPI AG 2024-06-01
Serie:Crystals
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Accesso online:https://www.mdpi.com/2073-4352/14/6/563
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