Skip to Main content Skip to Navigation
Journal articles

One-Dimensional Molecular Crystal of Phthalocyanine Confined into Single-Walled Carbon Nanotubes

Abstract : New one-dimensional (1D) hybrid nanosystems are elaborated with metalated or metal free phthalocyanine molecules encapsulated into the hollow core of single-walled carbon nanotubes. The X-ray diffraction experiments coupled to simulation allow evidencing the 1D structural organization of the molecules inside the nanotubes. The angle between the molecule ring and the nanotube axis is close to 32° as determined from our density functional theory calculations. Confined molecules display Raman spectra hardly altered with respect to the bulk phase, suggesting a rather weak interaction with the tubes. For comparison, noncovalent functionalization at the outer surface of the tube is also investigated. The vibrational properties of the molecules functionalized at the outer surface of tubes display important modifications. A significant curvature of the phthalocyanine is induced by the interaction with the tube walls, leading to change of the central atom position within the molecular ring, in good agreement with our first-principles calculations.
Complete list of metadatas

Cited literature [57 references]  Display  Hide  Download

https://hal.archives-ouvertes.fr/hal-01123545
Contributor : Patrick Hermet <>
Submitted on : Monday, January 6, 2020 - 4:31:34 PM
Last modification on : Monday, February 10, 2020 - 6:13:58 PM
Document(s) archivé(s) le : Tuesday, April 7, 2020 - 7:47:08 PM

File

Alvarez_08.pdf
Files produced by the author(s)

Identifiers

Citation

Laurent Alvarez, Fallou Fall, Anouar Belhboub, Rozenn Le Parc, Yann Almadori, et al.. One-Dimensional Molecular Crystal of Phthalocyanine Confined into Single-Walled Carbon Nanotubes. Journal of Physical Chemistry C, American Chemical Society, 2015, 119 (9), pp.5203-5210. ⟨10.1021/acs.jpcc.5b00168⟩. ⟨hal-01123545⟩

Share

Metrics

Record views

496

Files downloads

176