Electronic structure changes in cobalt phthalocyanine due to nanotube encapsulation probed using resonant inelastic X-ray scattering
(2010) In Physical Chemistry Chemical Physics 12(33). p.9693-9699- Abstract
- The electronic structure of cobalt phthalocyanine (CoPc) changes upon encapsulation inside multi-walled carbon nanotubes (CoPc@MWNT), as detected in this research using Co-K-edge X-ray absorption near-edge structure spectroscopy (XANES) and Co-K alpha(1) resonant inelastic X-ray scattering (RIXS). The CoPc molecules are no longer planar once inside the nanotubes, and the molecular symmetry is found to change upon encapsulation from D-4h to C-4v symmetry. This change of symmetry increases the amount of p-d orbital mixing, which is seen in the spectra as a change in peak intensity. Energy shifts are also seen between CoPc and CoPc@MWNT, showing that Co in the encapsulated species is more oxidized due to electron donation from the... (More)
- The electronic structure of cobalt phthalocyanine (CoPc) changes upon encapsulation inside multi-walled carbon nanotubes (CoPc@MWNT), as detected in this research using Co-K-edge X-ray absorption near-edge structure spectroscopy (XANES) and Co-K alpha(1) resonant inelastic X-ray scattering (RIXS). The CoPc molecules are no longer planar once inside the nanotubes, and the molecular symmetry is found to change upon encapsulation from D-4h to C-4v symmetry. This change of symmetry increases the amount of p-d orbital mixing, which is seen in the spectra as a change in peak intensity. Energy shifts are also seen between CoPc and CoPc@MWNT, showing that Co in the encapsulated species is more oxidized due to electron donation from the phthalocyanine molecule to the surrounding nanotube. Trends seen in the spectra between CoPc and CoPc@MWNT can be calculated using density functional theory (DFT), which shows the molecular orbitals involved in different spectral features. (Less)
Please use this url to cite or link to this publication:
https://lup.lub.lu.se/record/1673606
- author
- Swarbrick, Janine C. ; Weng, Tsu-Chien ; Schulte, Karina LU ; Khlobystov, Andrei N. and Glatzel, Pieter
- organization
- publishing date
- 2010
- type
- Contribution to journal
- publication status
- published
- subject
- in
- Physical Chemistry Chemical Physics
- volume
- 12
- issue
- 33
- pages
- 9693 - 9699
- publisher
- Royal Society of Chemistry
- external identifiers
-
- wos:000281007200016
- scopus:77955863843
- pmid:20539888
- ISSN
- 1463-9084
- DOI
- 10.1039/c002501a
- language
- English
- LU publication?
- yes
- id
- 755bd4d6-ff1a-47d5-9dce-d1d2885c1f4c (old id 1673606)
- date added to LUP
- 2016-04-01 13:29:45
- date last changed
- 2022-01-27 19:30:55
@article{755bd4d6-ff1a-47d5-9dce-d1d2885c1f4c, abstract = {{The electronic structure of cobalt phthalocyanine (CoPc) changes upon encapsulation inside multi-walled carbon nanotubes (CoPc@MWNT), as detected in this research using Co-K-edge X-ray absorption near-edge structure spectroscopy (XANES) and Co-K alpha(1) resonant inelastic X-ray scattering (RIXS). The CoPc molecules are no longer planar once inside the nanotubes, and the molecular symmetry is found to change upon encapsulation from D-4h to C-4v symmetry. This change of symmetry increases the amount of p-d orbital mixing, which is seen in the spectra as a change in peak intensity. Energy shifts are also seen between CoPc and CoPc@MWNT, showing that Co in the encapsulated species is more oxidized due to electron donation from the phthalocyanine molecule to the surrounding nanotube. Trends seen in the spectra between CoPc and CoPc@MWNT can be calculated using density functional theory (DFT), which shows the molecular orbitals involved in different spectral features.}}, author = {{Swarbrick, Janine C. and Weng, Tsu-Chien and Schulte, Karina and Khlobystov, Andrei N. and Glatzel, Pieter}}, issn = {{1463-9084}}, language = {{eng}}, number = {{33}}, pages = {{9693--9699}}, publisher = {{Royal Society of Chemistry}}, series = {{Physical Chemistry Chemical Physics}}, title = {{Electronic structure changes in cobalt phthalocyanine due to nanotube encapsulation probed using resonant inelastic X-ray scattering}}, url = {{http://dx.doi.org/10.1039/c002501a}}, doi = {{10.1039/c002501a}}, volume = {{12}}, year = {{2010}}, }