7 Dokumente gefunden

Engineering Interfacial Donor–Acceptor Molecular Cocrystals

Y6 is a high-performance non-fullerene acceptor widely used in organic solar cells. The assembly behavior of Y6 at interfaces, however, remains mostly unknown and respective in-depth investigations are missing. Here, we use room temperature scanning tunneling microscopy to investigate the self-assembly…
Washington, DC: American Chemical Society, 2026-01-29

Photocatalytic Activity of Ionic Carbon Nitrides is Governed by Cation‐Modulated Dark Exciton Dynamics

Ionic polymeric carbon nitrides, poly(heptazine imides) (PHIs), have emerged as promising photocatalysts, yet the relationship between their structure, exciton dynamics, and activity has remained elusive so far. Here, a direct link is established between photocatalytic activity, spectroscopic properties,…
Weinheim: Wiley-VCH, 2025-11-14

Tailored photoactivity of 2D nanosheets synthesized by electron irradiation of metal–organic Ru( ii ) monolayers

aus: Nanoscale
Two-dimensional materials gain significant interest for applications in light harvesting and sensing due to their unique properties and low dimensions. A key challenge is the introduction of specific functionalities such as photoactivity as well as their adjustment. Using adaptable coordination compounds…
Cambridge: The Royal Society of Chemistry, 2025-10-02

Catching the π‑Stacks: Prediction of Aggregate Structures of Porphyrin

π–π interactions decisively shape the supramolecular structure and functionality of π-conjugated molecular semiconductor materials. Despite the customizable molecular building blocks, predicting their supramolecular structure remains a challenge. Traditionally, force field methods have been used due…
Erschienen: American Chemical Society, 2024-11-09

A BODIPY‐Based Molecular Rotor in Giant Unilamellar Vesicles : A Case Study by Polarization‐Resolved Time‐Resolved Emission…

BODIPY and BODIPY‐derived systems are widely applied as fluorophores and as probes for viscosity detection in solvents and biological media. Their orientational and rotational dynamics in biological media are thus of vital mechanistic importance and extensively investigated. In this contribution, polarization‐resolved…
Weinheim: Wiley, 2023-11-27

Quantum chemical insights into the dependence of porphyrin basicity on the meso-aryl substituents : thermodynamics, buckling,…

The chemical and sensing properties of porphyrins are frequently tuned via the introduction of peripheral substituents. In the context of the exceptionally fast second protonation step in the case of 5,10,15,20-tetraphenylporphyrin (TPP), as compared to porphin and 5,10,15,20-tetramesitylporphyrin (TMesP),…

Describing and predicting molecular properties via vibrational spectroscopy in combination with electron density analysis

The major aim of the present work is the correlation of electron density investigations with vibrational spectroscopic studies. In particular, Raman spectroscopy was applied to qualitatively approve DFT-calculated changes in the electron density distribution induced by structural modi¯cations. Moreover,…