| Conţinutul numărului revistei |
| Articolul precedent |
| Articolul urmator |
 255 0 |
 SM ISO690:2012OZCAN, Emrah, DEDEOGLU, Burcu, CHUMAKOV, Yurii, ZORLU, Yunus, COSUT, Bunyemin, AYHAN, Mehmet Menaf. Modulation of supramolecular self-assembly of BODIPY tectonsviahalogen bonding. In: CrystEngComm, 2021, vol. 23, pp. 6365-6375. ISSN 1466-8033. DOI: https://doi.org/10.1039/d1ce00862e |
| EXPORT metadate: Google Scholar Crossref CERIF DataCite Dublin Core |
  CrystEngComm |
||||||
| Volumul 23 / 2021 / ISSN 1466-8033 | ||||||
|
||||||
| DOI:https://doi.org/10.1039/d1ce00862e | ||||||
| Pag. 6365-6375 | ||||||
|
||||||
| Rezumat | ||||||
In this study, the efficiency of halogen bonding strategies to control over the supramolecular assemblies of boron dipyrromethene (BODIPY) (B-1,B-2, andB-3) derivatives was explored. BODIPY cores were decorated with iodine (XB donor) and pyridine (XB acceptor) groups to promote halogen bonding formations. Single crystal X-ray diffraction analysis revealed the formation of I⋯X (N, F) XB, which led to the impressive halogen-bonded supramolecular self-assembly of 2-D layers (B-1), 1-D ladder-like chains (B-2), and helical assembly (B-3). The molecular electrostatic potential (MEP) showed the presence of σ holes on the outer tip of the iodine for all compounds. The SAPT analysis clarified the decomposition of interaction energies. The results revealed that the electrostatic forces have the largest contributions to XB in dimers ofB-2, whereas dispersion components are the major source of XB interactions in dimers ofB-1andB-3. The additional AIM theory analysis showed the bond critical points (BCPs) between I⋯N, F which also confirm the presence of halogen bonding inB-1,B-2, andB-3. |
||||||
| Cuvinte-cheie Dies, Electrostatics, Self assembly, single crystals, Supramolecular chemistry, X ray powder diffraction |
||||||
|
|
|
|
