Bottom-Up Fabrication of a Metal-Supported Oxo-Metal Porphyrin

Kód výsledku v IS VaVaI

<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F00216208%3A11320%2F19%3A10425325" target="_blank" >RIV/00216208:11320/19:10425325 - isvavai.cz</a>

Výsledek na webu

<a href="https://verso.is.cuni.cz/pub/verso.fpl?fname=obd_publikace_handle&handle=aqgE2lIPDe" target="_blank" >https://verso.is.cuni.cz/pub/verso.fpl?fname=obd_publikace_handle&handle=aqgE2lIPDe</a>

DOI - Digital Object Identifier

<a href="http://dx.doi.org/10.1021/acs.jpcc.9b08661" target="_blank" >10.1021/acs.jpcc.9b08661</a>

Jazyk výsledku

angličtina

Název v původním jazyce

Bottom-Up Fabrication of a Metal-Supported Oxo-Metal Porphyrin

Popis výsledku v původním jazyce

In situ preparation of oxotitanium tetraphenylporphyrin (TiO-TPP) on Ag(111) under ultrahigh vacuum conditions was achieved in a multistep procedure starting from adsorbed free-base tetraphenylporphyrin (2H-TPP). The final product as well as the intermediate titanium tetraphenylporphyrin (Ti-TPP) was characterized by a suite of surface-sensitive spectroscopic tools combined with scanning tunneling microscopy and density&apos;functional theory (DFT), and compared against the parent 2H-TPP species. Facile oxidation of Ti-TPP with molecular oxygen was observed at 300 K, with X-ray photoelectron spectroscopy (XPS), and near-edge X-ray absorption fine structure (NEXAFS) from the Ti 2p core levels supporting a change in the oxidation state from Ti2+ to Ti4+ N K-edge and Ti L-edge NEXAFS suggest that the tetrapyrrole macrocycle conformation is modified upon binding to oxygen, in agreement with DFT calculations that predict a marked change of the local environment of the Ti centers upon oxygen attachment. O K-edge NEXAFS and O is energy-scanned photoelectron diffraction from the resulting TiO-TPP monolayer provide strong evidence for the presence of a titanium-oxygen double bond, with the latter technique yielding a bond length of 1.56 +/- 0.02 angstrom. The majority of adsorbed TiO-TPP species have the oxo group pointing away from the surface rather than toward it, and thus the oxygen atom can potentially interact with external species. Both the highly reactive, intermediate Ti-TPP species and the final product TiO-TPP are of great interest for catalytic applications.

Název v anglickém jazyce

Bottom-Up Fabrication of a Metal-Supported Oxo-Metal Porphyrin

Popis výsledku anglicky

In situ preparation of oxotitanium tetraphenylporphyrin (TiO-TPP) on Ag(111) under ultrahigh vacuum conditions was achieved in a multistep procedure starting from adsorbed free-base tetraphenylporphyrin (2H-TPP). The final product as well as the intermediate titanium tetraphenylporphyrin (Ti-TPP) was characterized by a suite of surface-sensitive spectroscopic tools combined with scanning tunneling microscopy and density&apos;functional theory (DFT), and compared against the parent 2H-TPP species. Facile oxidation of Ti-TPP with molecular oxygen was observed at 300 K, with X-ray photoelectron spectroscopy (XPS), and near-edge X-ray absorption fine structure (NEXAFS) from the Ti 2p core levels supporting a change in the oxidation state from Ti2+ to Ti4+ N K-edge and Ti L-edge NEXAFS suggest that the tetrapyrrole macrocycle conformation is modified upon binding to oxygen, in agreement with DFT calculations that predict a marked change of the local environment of the Ti centers upon oxygen attachment. O K-edge NEXAFS and O is energy-scanned photoelectron diffraction from the resulting TiO-TPP monolayer provide strong evidence for the presence of a titanium-oxygen double bond, with the latter technique yielding a bond length of 1.56 +/- 0.02 angstrom. The majority of adsorbed TiO-TPP species have the oxo group pointing away from the surface rather than toward it, and thus the oxygen atom can potentially interact with external species. Both the highly reactive, intermediate Ti-TPP species and the final product TiO-TPP are of great interest for catalytic applications.

Druh

J_imp - Článek v periodiku v databázi Web of Science

CEP obor

—

OECD FORD obor

10305 - Fluids and plasma physics (including surface physics)

Projekt

—

Návaznosti

—

Rok uplatnění

2019

Kód důvěrnosti údajů

S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

Název periodika

Journal of Physical Chemistry C

ISSN

1932-7447

e-ISSN

—

Svazek periodika

123

Číslo periodika v rámci svazku

51

Stát vydavatele periodika

US - Spojené státy americké

Počet stran výsledku

15

Strana od-do

31011-31025

Kód UT WoS článku

000505632900028

EID výsledku v databázi Scopus

2-s2.0-85076823386