From Oligo(Phenyleneethynylene) Monomers to Supramolecular Helices: The Role of Intermolecular Interactions in Aggregation
Abstract
:1. Introduction
2. Computational Details
3. Results and Discussion
4. Summary and Conclusions
Supplementary Materials
Author Contributions
Funding
Acknowledgments
Conflicts of Interest
Sample Availability
Geometry Availability
References
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Energy (H) | ||
---|---|---|
monomer | Conformer 1 | −1476.4953010 |
Conformer 2 | −1476.4953009 | |
dimer | hh | −2953.0435193 |
ht | −2953.0400134 | |
4-mer | ||
hh | −5906.1562241 |
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Fernández, B.; Fernández, Z.; Quiñoá, E.; Freire, F. From Oligo(Phenyleneethynylene) Monomers to Supramolecular Helices: The Role of Intermolecular Interactions in Aggregation. Molecules 2021, 26, 3530. https://doi.org/10.3390/molecules26123530
Fernández B, Fernández Z, Quiñoá E, Freire F. From Oligo(Phenyleneethynylene) Monomers to Supramolecular Helices: The Role of Intermolecular Interactions in Aggregation. Molecules. 2021; 26(12):3530. https://doi.org/10.3390/molecules26123530
Chicago/Turabian StyleFernández, Berta, Zulema Fernández, Emilio Quiñoá, and Félix Freire. 2021. "From Oligo(Phenyleneethynylene) Monomers to Supramolecular Helices: The Role of Intermolecular Interactions in Aggregation" Molecules 26, no. 12: 3530. https://doi.org/10.3390/molecules26123530