%0 Journal Article
%T One-Dimensional Molecular Crystal of Phthalocyanine Confined into Single-Walled Carbon Nanotubes
%+ Laboratoire Charles Coulomb (L2C)
%+ Albert-Ludwigs-Universität Freiburg
%+ Laboratoire d’Etude des Matériaux Avancés et Applications (LEM2A)
%+ Instituto de Nanociencia de Aragón [Saragoza, España] (INA)
%+ Institut Charles Gerhardt Montpellier - Institut de Chimie Moléculaire et des Matériaux de Montpellier (ICGM)
%+ Laboratoire Innovation en Chimie des Surfaces et NanoSciences (LICSEN UMR 3685)
%+ Institut de Chimie Séparative de Marcoule (ICSM - UMR 5257)
%+ National Institute of Advanced Industrial Science and Technology (AIST)
%A Alvarez, Laurent
%A Fall, Fallou
%A Belhboub, Anouar
%A Le Parc, Rozenn
%A Almadori, Yann
%A Arenal, Raul
%A Aznar, Raymond
%A Dieudonne-George, Philippe
%A Hermet, Patrick
%A Rahmani, Abdelali
%A Jousselme, Bruno
%A Campidelli, Stéphane
%A Cambedouzou, Julien
%A Saito, Takeshi
%A Bantignies, Jean-Louis
%< avec comité de lecture
%@ 1932-7447
%J Journal of Physical Chemistry C
%I American Chemical Society
%V 119
%N 9
%P 5203-5210
%8 2015
%D 2015
%R 10.1021/acs.jpcc.5b00168
%K Encapsulation
%K Chromophores
%K x-ray Diffraction
%K Raman
%K supramolecular organization
%Z Chemical Sciences/Material chemistry
%Z Chemical Sciences/Theoretical and/or physical chemistryJournal articles
%X 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.
%G English
%2 https://hal.science/hal-01123545/document
%2 https://hal.science/hal-01123545/file/Alvarez_08.pdf
%L hal-01123545
%U https://hal.science/hal-01123545
%~ CEA
%~ ONERA
%~ CNRS
%~ ENSC-MONTPELLIER
%~ ICG
%~ ICSM
%~ L2C
%~ PUBNIMBE
%~ DEN
%~ INC-CNRS
%~ IRAMIS-NIMBE
%~ CEA-UPSAY
%~ UNIV-PARIS-SACLAY
%~ CEA-UPSAY-SACLAY
%~ MIPS
%~ CHIMIE
%~ UNIV-MONTPELLIER
%~ DEN-MARCO
%~ IRAMIS
%~ GS-CHIMIE
%~ GS-PHYSIQUE
%~ INSTITUT-SCIENCES-LUMIERE
%~ UM-2015-2021