Functionalized Porphyrins on an Atomically Defined Oxide Surface: Anchoring and Coverage-Dependent Reorientation of MCTPP on Co3O4(111)

Journal article
(Original article)


Publication Details

Author(s): Werner K, Mohr S, Schwarz M, Xu T, Amende M, Döpper T, Görling A, Libuda J
Journal: Journal of Physical Chemistry Letters
Publisher: American Chemical Society
Publication year: 2016
Volume: 7
Journal issue: 3
Pages range: 555-560
ISSN: 1948-7185
Language: English


Abstract


We have studied the adsorption of tetraphenylporphyrin (2HTPP) and its carboxylated counterpart mono-para-carboxyphenyltriphenylporphyrin (MCTPP) on an atomically defined CoO(111) film under ultrahigh vacuum (UHV) conditions. Using time-resolved infrared reflection absorption spectroscopy (TR-IRAS), we show that 2HTPP adsorbs molecularly in a flat-lying orientation, whereas MCTPP binds to the surface via formation of a chelating bidentate carboxylate upon deposition at 400 K. Combining TR-IRAS and density-functional theory (DFT), we determine the molecular tilting angle as a function of coverage. We show that the MCTPP adsorption geometry changes from a nearly flat-lying orientation (tilting angle <30°) at low coverage to a nearly perfectly upright-standing orientation (tilting angle of approximately 80°) in the full monolayer.



FAU Authors / FAU Editors

Amende, Maximilian
Lehrstuhl für Physikalische Chemie II
Döpper, Tibor
Lehrstuhl für Theoretische Chemie
Görling, Andreas Prof. Dr.
Lehrstuhl für Theoretische Chemie
Libuda, Jörg Prof. Dr.
Professur für Physikalische Chemie
Mohr, Susanne
Lehrstuhl für Physikalische Chemie II
Schwarz, Matthias
Lehrstuhl für Physikalische Chemie II
Werner, Kristin
Lehrstuhl für Physikalische Chemie II
Xu, Tao
Lehrstuhl für Physikalische Chemie II


Additional Organisation
Exzellenz-Cluster Engineering of Advanced Materials


Research Fields

D Catalytic Materials
Exzellenz-Cluster Engineering of Advanced Materials
A3 Multiscale Modeling and Simulation
Exzellenz-Cluster Engineering of Advanced Materials


How to cite

APA:
Werner, K., Mohr, S., Schwarz, M., Xu, T., Amende, M., Döpper, T.,... Libuda, J. (2016). Functionalized Porphyrins on an Atomically Defined Oxide Surface: Anchoring and Coverage-Dependent Reorientation of MCTPP on Co3O4(111). Journal of Physical Chemistry Letters, 7(3), 555-560. https://dx.doi.org/10.1021/acs.jpclett.5b02784

MLA:
Werner, Kristin, et al. "Functionalized Porphyrins on an Atomically Defined Oxide Surface: Anchoring and Coverage-Dependent Reorientation of MCTPP on Co3O4(111)." Journal of Physical Chemistry Letters 7.3 (2016): 555-560.

BibTeX: 

Last updated on 2019-19-02 at 15:24