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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| Formaat: | Artigo |
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MDPI AG
2024-06-01
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| Reeks: | Crystals |
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| Online toegang: | https://www.mdpi.com/2073-4352/14/6/563 |
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