## 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
Relative substituent position on the strength of π–π stacking interactions
✍ Scribed by Benjamin W. Gung; Bright U. Emenike; Celeste N. Alverez; John Rakovan; Kristin Kirschbaum; Nirbhay Jain
- Publisher
- Elsevier Science
- Year
- 2010
- Tongue
- French
- Weight
- 268 KB
- Volume
- 51
- Category
- Article
- ISSN
- 0040-4039
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