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View article: Twist and Shine: The Impact of Halogen Substitution on Thiele Hydrocarbon's Optical Properties
Twist and Shine: The Impact of Halogen Substitution on Thiele Hydrocarbon's Optical Properties Open
In this work, two new mixed‐halide Thiele hydrocarbons were synthesized and characterized to elucidate the influence of halogenation patterns on their photophysical properties, addressing the role exerted by steric constraints and electron…
View article: Twist and Shine: The Impact of Halogen Substitution on Thiele Hydrocarbon's Optical Properties
Twist and Shine: The Impact of Halogen Substitution on Thiele Hydrocarbon's Optical Properties Open
In this work, two new mixed‐halide Thiele hydrocarbons were synthesized and characterized to elucidate the influence of halogenation patterns on their photophysical properties, addressing the role exerted by steric constraints and electron…
View article: Room-Temperature Phosphorescence Vapochromism through Conformational Control
Room-Temperature Phosphorescence Vapochromism through Conformational Control Open
Solid-state room-temperature phosphorescence is rarely observed in organic molecules, and the modification of its color upon application of physical or chemical stimuli is hardly achieved. In this work, we demonstrate that a decorated pers…
View article: Room-Temperature Phosphorescence Vapochromism Through Conformational Control
Room-Temperature Phosphorescence Vapochromism Through Conformational Control Open
Solid-state room-temperature phosphorescence is rarely observed in organic molecules and the modification of its color upon application of physical or chemical stimuli is hardly achieved. In this work we demonstrate that a decorated persul…
View article: Tuning Low-Lying Excited States and Optical Properties in IndenoFluorene Diradicaloids and Longitudinally Extended Derivatives: A Computational Perspective
Tuning Low-Lying Excited States and Optical Properties in IndenoFluorene Diradicaloids and Longitudinally Extended Derivatives: A Computational Perspective Open
In this work, we have considered the family of indenofluorene (IF) and its longitudinally elongated variants fluorenofluorene and diindenoanthracene and investigated their low-lying excited states and optical properties via quantum-chemica…
View article: Luminescent Trityl‐based Diradicaloids: A Theoretical and Experimental Assessment of Charge‐Resonance in Low‐Lying Excited States
Luminescent Trityl‐based Diradicaloids: A Theoretical and Experimental Assessment of Charge‐Resonance in Low‐Lying Excited States Open
The tris(2,4,6‐trichlorophenyl)methyl radical ( TTM) has inspired the synthesis of several luminescent diradicaloids, providing an extraordinary opportunity to control the nature of the low‐lying excited states by fine‐tuning the diradical…
View article: Luminescent Trityl-based Diradicaloids: A Theoretical and Experimental Assessment of Charge-Resonance in Low-Lying Excited States
Luminescent Trityl-based Diradicaloids: A Theoretical and Experimental Assessment of Charge-Resonance in Low-Lying Excited States Open
The tris(2,4,6-trichlorophenyl)methyl radical (TTM) has inspired the synthesis of several luminescent diradicals and diradicaloids, providing an extraordinary opportunity to control the nature of the low-lying excited states by fine-tuning…
View article: Stable Meisenheimer Complexes as Powerful Photoreductants Readily Obtained from Aza‐Hetero Aromatic Compounds
Stable Meisenheimer Complexes as Powerful Photoreductants Readily Obtained from Aza‐Hetero Aromatic Compounds Open
Excited states of radical anions derived from the photoreduction of stable organic molecules are suggested to serve as potent reductants. However, excited states of these species are too short‐lived to allow bimolecular quenching processes…
View article: Stable Meisenheimer Complexes as Powerful Photoreductants Readily Obtained from Aza‐Hetero Aromatic Compounds
Stable Meisenheimer Complexes as Powerful Photoreductants Readily Obtained from Aza‐Hetero Aromatic Compounds Open
Excited states of radical anions derived from the photoreduction of stable organic molecules are suggested to serve as potent reductants. However, excited states of these species are too short‐lived to allow bimolecular quenching processes…
View article: Laterally π‐Extensed Nitrogen‐Doped Molecular Nanographenes – From Anti‐Kasha Emission to Ping‐Pong Energy Transfer Events
Laterally π‐Extensed Nitrogen‐Doped Molecular Nanographenes – From Anti‐Kasha Emission to Ping‐Pong Energy Transfer Events Open
Nanographenes, which feature at least one dimension smaller than 100 nm, are drawing interdisciplinary attention. Understanding the interplay between structure and properties is, however, still in its infancy. Molecular nanographenes are m…
View article: Unravelling the Role of Structural Factors in the Luminescence Properties of Persulfurated Benzenes
Unravelling the Role of Structural Factors in the Luminescence Properties of Persulfurated Benzenes Open
Room temperature phosphorescence rarely occurs from pure organic molecules, especially in the solid‐state. A strategy for the design of highly emissive organic phosphors is still hard to predict, thus impeding the development of new functi…
View article: Eclipsed and Twisted Excimers of Pyrene and 2-Azapyrene: How Nitrogen Substitution Impacts Excimer Emission
Eclipsed and Twisted Excimers of Pyrene and 2-Azapyrene: How Nitrogen Substitution Impacts Excimer Emission Open
Due to their unique photophysical and electronic properties, pyrene and its analogues have been the subject of extensive research in recent decades. The propensity of pyrene and its derivatives to form excimers has found wide application i…
View article: Tunable electrochemiluminescence of TADF luminophores: manipulating efficiency and unveiling water-soluble emitters
Tunable electrochemiluminescence of TADF luminophores: manipulating efficiency and unveiling water-soluble emitters Open
The ECL efficiency of several TADF dyes was evaluated by tuning the electron-donating and -accepting strengths of peripheral substituents. Introducing TEG chains provides water-solubility and expresses TADF potential as ECL labels for bioa…
View article: Impact of static and dynamic disorder effects on the charge transport properties of merocyanine single crystals
Impact of static and dynamic disorder effects on the charge transport properties of merocyanine single crystals Open
Static and dynamic disorder effects impact the charge transport properties of merocyanine single crystals. While thermal disorder enhances the hole transfer rates, polarization phenomena lower the hole mobility and modify the transport top…
View article: CCDC 2211356: Experimental Crystal Structure Determination
CCDC 2211356: 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 …
View article: Dark State of the Thiele Hydrocarbon: Efficient Solvatochromic Emission from a Nonpolar Centrosymmetric Singlet Diradicaloid
Dark State of the Thiele Hydrocarbon: Efficient Solvatochromic Emission from a Nonpolar Centrosymmetric Singlet Diradicaloid Open
In this work, a comprehensive investigation of the photoinduced processes and mechanisms linked to the luminescence of a novel nonperchlorinated Thiele hydrocarbon (TTH) is presented. Despite the comparable diradical character of TTH (y0 =…
View article: 77 % Photothermal Conversion in Blatter‐Type Diradicals: Photophysics and Photodynamic Applications
77 % Photothermal Conversion in Blatter‐Type Diradicals: Photophysics and Photodynamic Applications Open
Diradicals based on the Blatter units and connected by acetylene and alkene spacers have been prepared. All the molecules show sizably large diradical character and low energy singlet‐triplet gaps. Their photo‐physical properties concernin…
View article: Ambipolar Charge Transport in Organic Semiconductors: How Intramolecular Reorganization Energy Is Controlled by Diradical Character
Ambipolar Charge Transport in Organic Semiconductors: How Intramolecular Reorganization Energy Is Controlled by Diradical Character Open
The charged forms of π–conjugated chromophores are relevant in the field of organic electronics as charge carriers in optoelectronic devices, but also as energy storage substrates in organic batteries. In this context, intramolecular reorg…
View article: CCDC 2210281: Experimental Crystal Structure Determination
CCDC 2210281: 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 …
View article: CCDC 2210280: Experimental Crystal Structure Determination
CCDC 2210280: 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 …
View article: CCDC 2210279: Experimental Crystal Structure Determination
CCDC 2210279: 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 …
View article: Impact of Di- and Poly-Radical Characters on the Relative Energy of the Doubly Excited and La States of Linear Acenes and Cyclacenes
Impact of Di- and Poly-Radical Characters on the Relative Energy of the Doubly Excited and La States of Linear Acenes and Cyclacenes Open
Linear and cyclic acenes are polycyclic aromatic hydrocarbons that can be viewed as building blocks of graphene nanoribbons and carbon nanotubes, respectively. While short linear acenes demonstrated remarkable efficiency in several optoele…
View article: Gas-phase electronic spectroscopy of nuclear spin isomer separated H <sub>2</sub> O@C <sub>60</sub> <sup>+</sup> and D <sub>2</sub> O@C <sub>60</sub> <sup>+</sup>
Gas-phase electronic spectroscopy of nuclear spin isomer separated H <sub>2</sub> O@C <sub>60</sub> <sup>+</sup> and D <sub>2</sub> O@C <sub>60</sub> <sup>+</sup> Open
Gas-phase electronic spectra of H2O@C+60 and D2O@C+60 are presented. These data were obtained by one-photon dissociation of weakly bound helium complexes synthesised in a 3 K ion trap. Mea- surements were recorded in the vicinity of the 2 …
View article: Orbital Nature of Carboionic Monoradicals Made from Diradicals
Orbital Nature of Carboionic Monoradicals Made from Diradicals Open
The electronic, optical, and solid state properties of a series of monoradicals, anions and cations obtained from starting neutral diradicals have been studied. Diradicals based on s ‐indacene and indenoacenes, with benzothiophenes fused a…
View article: Revealing the interplay between the structural complexity of triphenylamine redox derivatives and their charge transport processes <i>via</i> computational modeling
Revealing the interplay between the structural complexity of triphenylamine redox derivatives and their charge transport processes <i>via</i> computational modeling Open
Triphenylamine derivatives (TPAs) are known for their semiconducting charge transport and redox properties. We explore computationally the charge transport processes in amorphous and single crystalline phases of four different TPAs.
View article: Intermolecular Interactions and Charge Resonance Contributions to Triplet and Singlet Exciton States of Oligoacene Aggregates
Intermolecular Interactions and Charge Resonance Contributions to Triplet and Singlet Exciton States of Oligoacene Aggregates Open
Intermolecular interactions modulate the electro-optical properties of molecular materials and the nature of low-lying exciton states. Molecular materials composed by oligoacenes are extensively investigated for their semiconducting and op…
View article: <i>Meso</i>‐2‐MethoxyNaphthalenyl‐BODIPY as Efficient Organic Dye for Metallaphotoredox Catalysis
<i>Meso</i>‐2‐MethoxyNaphthalenyl‐BODIPY as Efficient Organic Dye for Metallaphotoredox Catalysis Open
A new meso ‐naphthalenyl BODIPY was designed for the efficient generation of long‐lived triplet excited state under irradiation with green light. The new, heavy atom‐free organic chromophore was employed in a benchmark example of dual pall…