The Role of the Ethynyl Substituent on t
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Xavier Lucas; Dr. David Quiñonero; Dr. Antonio Frontera; Prof. Dr. Pere M. Deyà
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Article
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2010
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John Wiley and Sons
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English
⚖ 381 KB
## Abstract Herein, we report a high‐level theoretical study (SCS‐RI‐MP2(full)/aug‐cc‐pVTZ) examining the stacking affinity of 1,3,5‐triethynylbenzene. The stacking properties of this compound are compared to those of benzene and 1,3,5‐trifluorobenzene. The results indicate that the ethynyl substit