Photophysics of corroles and closely related systems for emergent solar energy, medicinal, and materials science applications
The scientific research field of corrole systems has witnessed an explosion of interest in
recent years owing to unique optical and electronic properties that are very promising for …
recent years owing to unique optical and electronic properties that are very promising for …
Controlled growth of ordered monolayers of N-heterocyclic carbenes on silicon
M Franz, S Chandola, M Koy, R Zielinski… - Nature Chemistry, 2021 - nature.com
N-Heterocyclic carbenes (NHCs) are promising modifiers and anchors for surface
functionalization and offer some advantages over thiol-based systems. Because of their …
functionalization and offer some advantages over thiol-based systems. Because of their …
Toward efficient toxic-gas detectors: Exploring molecular interactions of sarin and dimethyl methylphosphonate with metal-centered phthalocyanine structures
The rapid and reliable detection of lethal agents such as sarin is of increasing importance.
Here, density-functional theory (DFT) is used to compare the interaction of sarin with single …
Here, density-functional theory (DFT) is used to compare the interaction of sarin with single …
Tetracene ultrathin film growth on hydrogen-passivated silicon
Inorganic–organic interfaces are important for enhancing the power conversion efficiency of
silicon-based solar cells through singlet exciton fission (SF). We elucidated the structure of …
silicon-based solar cells through singlet exciton fission (SF). We elucidated the structure of …
On-surface site-selective cyclization of corrole radicals
Radical cyclization is among the most powerful and versatile reactions for constructing mono-
and polycyclic systems, but has, to date, remained unexplored in the context of on-surface …
and polycyclic systems, but has, to date, remained unexplored in the context of on-surface …
Coupled cluster and time-dependent density functional theory description of inner shell photoabsorption cross sections of molecules
Near K-edge photoabsorption cross section spectra of a number of molecules, namely,
water, ammonia, acetone, acetaldehyde, furan, and pyrrole, were obtained at the nitrogen …
water, ammonia, acetone, acetaldehyde, furan, and pyrrole, were obtained at the nitrogen …
Unraveling the oxidation and spin state of Mn–corrole through X-ray spectroscopy and quantum chemical analysis
The interplay between Mn ions and corrole ligands gives rise to complex scenarios
regarding the metal centers' electronic properties expressing a range of high oxidation …
regarding the metal centers' electronic properties expressing a range of high oxidation …
On-surface formation of a transient corrole radical and aromaticity-driven interfacial electron transfer
M Zugermeier, J Herritsch, JN Luy… - The Journal of …, 2020 - ACS Publications
Corroles on metal surfaces show substantial reactivity and aromaticity-driven interfacial
electron transfer of their transient σ/π-radicals. These effects are much more pronounced …
electron transfer of their transient σ/π-radicals. These effects are much more pronounced …
Electronic structure of the surface from theory and photoemission spectroscopy
The Si (111) 3× 3 R 30∘-B [Si (111)-B] surface has evolved into a particularly interesting
surface in the context of on-surface molecular self-assembly. Photoemission spectroscopy is …
surface in the context of on-surface molecular self-assembly. Photoemission spectroscopy is …
Regioselective thiocyanation of corroles and the synthesis of gold nanoparticle–corrole assemblies
Herein we demonstrate a synthetic protocol for the regioselective thiocyanation of corroles.
To the best of our knowledge, thiocyanato appended corrole has never been reported …
To the best of our knowledge, thiocyanato appended corrole has never been reported …