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View article: Light‐Induced On‐Surface Reactions: Bridging Photochemistry and Surface Science
Light‐Induced On‐Surface Reactions: Bridging Photochemistry and Surface Science Open
Molecular on‐surface photochemistry recently emerged as an alternative strategy to thermal reactions to synthesize low‐dimensional carbon‐based nanomaterials, particularly on nonmetallic surfaces. However, there is still limited knowledge …
View article: On‐Surface Synthesis and Characterization of Cumulene‐Linked Stone‐Wales Polymers
On‐Surface Synthesis and Characterization of Cumulene‐Linked Stone‐Wales Polymers Open
Structural, chemical, and extrinsic modifications of graphene‐based nanostructures enable bandgap tuning, optoelectronics, spintronics, and quantum materials design. A well‐known approach to modify their electronic properties involves intr…
View article: On‐Surface Synthesis and Characterization of Cumulene‐Linked Stone‐Wales Polymers
On‐Surface Synthesis and Characterization of Cumulene‐Linked Stone‐Wales Polymers Open
Structural, chemical, and extrinsic modifications of graphene‐based nanostructures enable bandgap tuning, optoelectronics, spintronics, and quantum materials design. A well‐known approach to modify their electronic properties involves intr…
View article: Photogeneration and Visualization of a Surface‐Stabilized Dinitrene
Photogeneration and Visualization of a Surface‐Stabilized Dinitrene Open
Nitrenes are known as key intermediates in various chemical reactions. Nitrene transfer reactions are particularly effective for synthesizing nitrogen‐containing compounds, where metal catalysts play a crucial role in controlling nitrene r…
View article: Photogeneration and Visualization of a Surface‐Stabilized Dinitrene
Photogeneration and Visualization of a Surface‐Stabilized Dinitrene Open
Nitrenes are known as key intermediates in various chemical reactions. Nitrene transfer reactions are particularly effective for synthesizing nitrogen‐containing compounds, where metal catalysts play a crucial role in controlling nitrene r…
View article: Exploring the Role of Excited States’ Degeneracy on Vibronic Coupling with Atomic-Scale Optics
Exploring the Role of Excited States’ Degeneracy on Vibronic Coupling with Atomic-Scale Optics Open
Interactions between molecular electronic and vibrational states manifest themselves in a variety of forms and have a strong impact on molecular physics and chemistry. For example, the efficiency of energy transfer between organic molecule…
View article: Resonant Tip-Enhanced Raman Spectroscopy of a Single-Molecule Kondo System
Resonant Tip-Enhanced Raman Spectroscopy of a Single-Molecule Kondo System Open
Tip-enhanced Raman spectroscopy (TERS) under ultrahigh vacuum and cryogenic conditions enables exploration of the relations between the adsorption geometry, electronic state, and vibrational fingerprints of individual molecules. TERS capab…
View article: Controlling On‐Surface Photoactivity: The Impact of π‐Conjugation in Anhydride‐Functionalized Molecules on a Semiconductor Surface
Controlling On‐Surface Photoactivity: The Impact of π‐Conjugation in Anhydride‐Functionalized Molecules on a Semiconductor Surface Open
On‐surface synthesis has become a prominent method for growing low‐dimensional carbon‐based nanomaterials on metal surfaces. However, the necessity of decoupling organic nanostructures from metal substrates to exploit their properties requ…
View article: Photocleavage of Aliphatic C–C Bonds in the Interstellar Medium
Photocleavage of Aliphatic C–C Bonds in the Interstellar Medium Open
Ultraviolet (UV) processing in the interstellar medium (ISM) induces the dehydrogenation of hydrocarbons. Aliphatics, including alkanes, are present in different interstellar environments, being prevalently formed in evolved stars; thus, t…
View article: Resonant TERS of a Single-Molecule Kondo System
Resonant TERS of a Single-Molecule Kondo System Open
Single-molecule tip-enhanced Raman spectroscopy (TERS) under ultra-high vacuum (UHV) and cryogenic conditions enables exploration of the relations between the adsorption geometry, electronic state, and vibrational fingerprints of individua…
View article: Unveiling the Collaborative Effect at the Cucurbit [8] uril–MoS<sub>2</sub> Hybrid Interface for Electrochemical Melatonin Determination
Unveiling the Collaborative Effect at the Cucurbit [8] uril–MoS<sub>2</sub> Hybrid Interface for Electrochemical Melatonin Determination Open
Invited for the cover of this issue are two collaborating groups: one at the Universidad Autónoma de Madrid and the other at the Instituto de Ciencia de Materiales de Madrid. The image depicts Cucurbit[8]uril adsorbed on a transition metal…
View article: Front Cover: Unveiling the Collaborative Effect at the Cucurbit[8]uril‐MoS<sub>2</sub> Hybrid Interface for Electrochemical Melatonin Determination (Chem. Eur. J. 9/2023)
Front Cover: Unveiling the Collaborative Effect at the Cucurbit[8]uril‐MoS<sub>2</sub> Hybrid Interface for Electrochemical Melatonin Determination (Chem. Eur. J. 9/2023) Open
An open-and-shut case: Cucurbit[8]uril adsorbs robustly on transition-metal dichalcogenides (TMDs) letting the cavity open for complex formation with melatonin and allowing efficient electrochemical sensing. This situation is reversed on g…
View article: Unveiling the Collaborative Effect at the Cucurbit[8]uril‐MoS<sub>2</sub> Hybrid Interface for Electrochemical Melatonin Determination
Unveiling the Collaborative Effect at the Cucurbit[8]uril‐MoS<sub>2</sub> Hybrid Interface for Electrochemical Melatonin Determination Open
Host‐guest interactions are of paramount importance in supramolecular chemistry and in a wide range of applications. Particularly well known is the ability of cucurbit[ n ]urils (CB[ n ]) to selectively host small molecules. We show that t…
View article: Beyond the 2D Field‐Effect Charge Transport Paradigm in Molecular Thin‐Film Transistors
Beyond the 2D Field‐Effect Charge Transport Paradigm in Molecular Thin‐Film Transistors Open
Organic field‐effect transistors (OFETs) are considered almost purely interfacial devices with charge current mainly confined in the first two semiconducting layers in contact with the dielectric with no active role of the film thickness e…
View article: Beyond the two-dimensional field-effect charge transport paradigm in molecular thin film transistors
Beyond the two-dimensional field-effect charge transport paradigm in molecular thin film transistors Open
Organic field-effect transistors (OFETs) are considered almost purely interfacial devices with charge current mainly confined in the first two semiconducting layers in contact with the dielectric with no active role of the film thickness e…
View article: Tuning the Diradical Character of Indolocarbazoles: Impact of Structural Isomerism and Substitution Position
Tuning the Diradical Character of Indolocarbazoles: Impact of Structural Isomerism and Substitution Position Open
In this study, a set of 10 positional indolocarbazole (ICz) isomers substituted with dicyanomethylene groups connected via para or meta positions are computationally investigated with the aim of exploring the efficiency of structural isome…
View article: Evidence of trion-libron coupling in chirally adsorbed single molecules
Evidence of trion-libron coupling in chirally adsorbed single molecules Open
Interplay between motion of nuclei and excited electrons in molecules plays a key role both in biological and artificial nanomachines. Here we provide a detailed analysis of coupling between quantized librational modes (librons) and charge…
View article: Real Space Visualization of Entangled Excitonic States in Charged Molecular Assemblies
Real Space Visualization of Entangled Excitonic States in Charged Molecular Assemblies Open
Entanglement of excitons holds great promise for the future of quantum computing, which would use individual molecular dyes as building blocks of their circuitry. Studying entangled excitonic eigenstates emerging in coupled molecular assem…
View article: Impact of Fluoroalkylation on the n-Type Charge Transport of Two Naphthodithiophene Diimide Derivatives
Impact of Fluoroalkylation on the n-Type Charge Transport of Two Naphthodithiophene Diimide Derivatives Open
In this work, we investigate two recently synthesized naphthodithiophene diimide (NDTI) derivatives featuring promising n-type charge transport properties. We analyze the charge transport pathways and model charge mobility with the non-adi…
View article: Addressing the Frenkel and charge transfer character of exciton states with a model Hamiltonian based on dimer calculations: Application to large aggregates of perylene bisimide
Addressing the Frenkel and charge transfer character of exciton states with a model Hamiltonian based on dimer calculations: Application to large aggregates of perylene bisimide Open
To understand the influence of interchromophoric arrangements on photo-induced processes and optical properties of aggregates, it is fundamental to assess the contribution of local excitations [charge transfer (CT) and Frenkel (FE)] to exc…
View article: Chlorination and tautomerism: a computational and UPS/XPS study of 2-hydroxypyridine ⇌ 2-pyridone equilibrium
Chlorination and tautomerism: a computational and UPS/XPS study of 2-hydroxypyridine ⇌ 2-pyridone equilibrium Open
Disentangling complex photoelectronic spectral features through computational studies allows to achieve a precise description of the tautomeric equilibrium in the neutral and cationic states of parent, 3-Cl, 4-Cl, 5-Cl and 6-Cl 2-hydroxypy…
View article: The Low Lying Double-Exciton State of Conjugated Diradicals: Assessment of TDUDFT and Spin-Flip TDDFT Predictions
The Low Lying Double-Exciton State of Conjugated Diradicals: Assessment of TDUDFT and Spin-Flip TDDFT Predictions Open
Conjugated singlet ground state diradicals have received remarkable attention owing to their potential applications in optoelectronic devices. A distinctive character of these systems is the location of the double-exciton state, a low lyin…
View article: The Low Lying Double-Exciton State of Conjugated Diradicals: Assessment of TDUDFT and Spin-Flip TDDFT Predictions
The Low Lying Double-Exciton State of Conjugated Diradicals: Assessment of TDUDFT and Spin-Flip TDDFT Predictions Open
Conjugated singlet ground state diradicals have received remarkable attention owing to their potential applications in optoelectronic devices. A distinctive character of these systems is the location of the double exciton state, a low lyin…
View article: Graphical Abstract: Angew. Chem. Int. Ed. 41/2019
Graphical Abstract: Angew. Chem. Int. Ed. 41/2019 Open
GrapheneIn their Communication on page 14446 ff., Z. Liu and co-workers describe the large-scale synthesis of superclean graphene by chemical vapor deposition and the selective etching of amorphous carbon contaminants with CO 2 .
View article: Perylene π‐Bridges Equally Delocalize Anions and Cations: Proportioned Quinoidal and Aromatic Content
Perylene π‐Bridges Equally Delocalize Anions and Cations: Proportioned Quinoidal and Aromatic Content Open
A complete experimental and theoretical study has been carried out for aromatic and quinoidal perylene‐based bridges substituted with bis(diarylamine) and bis(arylimine) groups respectively. The through‐bridge inter‐redox site electronic c…
View article: Perylene π‐Bridges Equally Delocalize Anions and Cations: Proportioned Quinoidal and Aromatic Content
Perylene π‐Bridges Equally Delocalize Anions and Cations: Proportioned Quinoidal and Aromatic Content Open
A complete experimental and theoretical study has been carried out for aromatic and quinoidal perylene‐based bridges substituted with bis(diarylamine) and bis(arylimine) groups respectively. The through‐bridge inter‐redox site electronic c…
View article: CCDC 1877821: Experimental Crystal Structure Determination
CCDC 1877821: Experimental Crystal Structure Determination Open
An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available …