Bibliographic Details
| Title: |
Molecular Features Behind Formation of α or β Co-Crystalline and Nanoporous-Crystalline Phases of PPO |
| Authors: |
Manohar Golla, Antonietta Cozzolino, Baku Nagendra, Emanuele Vignola, Christophe Daniel, Paola Rizzo, Gaetano Guerra, Finizia Auriemma, Massimo Christian D’Alterio |
| Source: |
Frontiers in Chemistry, Vol 9 (2022) |
| Publisher Information: |
Frontiers Media S.A., 2022. |
| Publication Year: |
2022 |
| Collection: |
LCC:Chemistry |
| Subject Terms: |
guest molecular volume, guest solubility in water, solubility parameters, DFT calculations, dispersive energy calculations, Chemistry, QD1-999 |
| More Details: |
Guest molecular features determining the formation of α and β phases of poly(2-6-dimethyl-1,4-phenylene) oxide (PPO) are explored by collecting literature data and adding many new film preparations, both by solution casting and by guest sorption in amorphous films. Independently of the considered preparation method, the α-form is favored by the hydrophobic and bulky guest molecules, while the hydrophilic and small guest molecules favor the β-form. Furthermore, molecular modeling studies indicate that the β-form inducer guests establish stronger dispersive interactions with the PPO units than the α-form inducer guests. Thus, the achievement of co-crystalline (and derived nanoporous crystalline) α- and β-forms would result from differences in energy gain due to the host–guest interactions established at the local scale. |
| Document Type: |
article |
| File Description: |
electronic resource |
| Language: |
English |
| ISSN: |
2296-2646 |
| Relation: |
https://www.frontiersin.org/articles/10.3389/fchem.2021.809850/full; https://doaj.org/toc/2296-2646 |
| DOI: |
10.3389/fchem.2021.809850 |
| Access URL: |
https://doaj.org/article/dfb25830b0be408da947f056cf72387b |
| Accession Number: |
edsdoj.fb25830b0be408da947f056cf72387b |
| Database: |
Directory of Open Access Journals |
