SFB 1249: N-Heteropolyzyklen als Funktionsmaterialien

The SFB 1249 is an interdisciplinary Collaborative Research Centre at Heidelberg University with project partners at the Karlsruhe Institute of Technology (KIT), MPI for Solid State Research in Stuttgart, University of Kassel and the Heidelberg Institute for Theoretical Studies (HITS). It is funded by the German Research Foundation (DFG).

The aim of this SFB is the development of novel organic functional materials with specifically tailored electronic properties and their application as photoactive components and organic semiconductors. We focus on the molecular class of N-heteropolycycles, which provide a wide range of tunable structures. Research areas include Synthesis (A), Theory and Structure (B), and Material and Function (C).

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1 to 10 of 51 Results

Influence of N-introduction on the electronic structure and properties of polyacenes: experiment and quantum chemistry in concert [research data] Apr 16, 2024 - SFB 1249: N-Heteropolyzyklen als Funktionsmaterialien - B: Theory & Structure Dreuw, Andreas; Tegeder, Petra, 2024, "Influence of N-introduction on the electronic structure and properties of polyacenes: experiment and quantum chemistry in concert [research data]", https://doi.org/10.11588/data/FEQZX9, heiDATA, V1 N-Heteropolycycles (NHPCs) represent a promising substance class for applications in functional organic materials, since their electronic structure and the resulting individual molecular properties are efficiently tuneable by number and position of nitrogen atoms in the aromatic...
Electronic Properties of Tetraazaperopyrene Derivatives on Au(111): Energy-Level Alignment and Interfacial Band Formation [research data] Apr 16, 2024 - SFB 1249: N-Heteropolyzyklen als Funktionsmaterialien - B: Theory & Structure Stein, Arnulf; Rolf, Daniela; Lotze, Christian; Feldmann, Sascha; Gerbert, David; Günther, Benjamin; Jeindl, Andreas; Cartus, Johannes J.; Hofmann, Oliver T.; Gade, Lutz H.; Franke, Katharina J.; Tegeder, Petra, 2024, "Electronic Properties of Tetraazaperopyrene Derivatives on Au(111): Energy-Level Alignment and Interfacial Band Formation [research data]", https://doi.org/10.11588/data/0EK2MB, heiDATA, V1 N-heteropolycyclic aromatic compounds are promising organic electron-transporting semiconductors for applications in field-effect transistors. Here, we investigated the electronic properties of 1,3,8,10-tetraazaperopyrene derivatives adsorbed on Au(111) using a complementary expe...
Excited States Dynamics at Pentacene/Perfluoropentacene Interfaces: A Femtosecond Time-Resolved Second Harmonic Generation Study [research data] Apr 16, 2024 - SFB 1249: N-Heteropolyzyklen als Funktionsmaterialien - B: Theory & Structure Sivanesan, Vipilan; Broch, Katharina; Tegeder, Petra, 2024, "Excited States Dynamics at Pentacene/Perfluoropentacene Interfaces: A Femtosecond Time-Resolved Second Harmonic Generation Study [research data]", https://doi.org/10.11588/data/PYEHCQ, heiDATA, V1 Understanding the dynamics of excited states after optical excitation at donor-acceptor (D/A) interfaces is of paramount importance for improving the efficiency and performance of optoelectronic devices. Here, we studied the ultrafast excited state dynamics after optical excitati...
Synthesis and structural properties of para-diselenopyrazines [data] Mar 26, 2024 - SFB 1249: N-Heteropolyzyklen als Funktionsmaterialien - A: Synthesis Hüßler, Christopher; Dietl, Martin C.; Kahle, Justin; Lopes, Eric F.; Kawamura, Miku; Krämer, Petra; Rominger, Frank; Rudolph, Matthias; Hachida, Iwao; Hashmi, A. Stephen K., 2024, "Synthesis and structural properties of para-diselenopyrazines [data]", https://doi.org/10.11588/data/UYS0N6, heiDATA, V1 Recently, dithienopyrazines have emerged as promising building blocks in the field of materials science, showcasing their potential as hole-transport materials in organic electronic devices. Herein, we report the synthesis of its heavier analogues, the diselenopyrazines, along wi...
Two-dimensional coherent electronic spectrometer with switchable multi-color configurations [research data] Mar 25, 2024 - SFB 1249: N-Heteropolyzyklen als Funktionsmaterialien - B: Theory & Structure Kefer, Oskar; Kolesnichenko, Pavel V.; Buckup, Tiago, 2024, "Two-dimensional coherent electronic spectrometer with switchable multi-color configurations [research data]", https://doi.org/10.11588/data/BLXCSM, heiDATA, V1 Broadband implementation of two-dimensional electronic spectroscopy (2DES) is a desirable goal for numerous research groups, yet achieving it presents considerable challenges. An effective strategy to mitigate these challenges is the utilization of two-color approaches, effective...
Dispersion-Driven Formation of Chiral Twisted PAH Double Helices [Data] Mar 20, 2024 - Institute of Organic Chemistry - AK Mastalerz Yang, Xuan; Brückner, Margit; Rominger, Frank; Kirschbaum, Tobias; Mastalerz, Michael, 2024, "Dispersion-Driven Formation of Chiral Twisted PAH Double Helices [Data]", https://doi.org/10.11588/data/BRM2DI, heiDATA, V1 Molecular double helices are ubiquitous in nature and have also been generated artificially. These are usually based on helical ribbons. Here, a new type of double helices based on twisted ribbons is introduced. The monomeric strands are polycyclic aromatic hydrocarbons of variou...
Bay-Substituted Octaazaperopyrenedioxides as Solid-State Emitters for Strong Light-Matter Coupling [data] Mar 18, 2024 - SFB 1249: N-Heteropolyzyklen als Funktionsmaterialien - C: Material & Function Hertzog, Manuel; Robert Eichelmann; Pierre Jeudy; Tobias Wesp; Simon Settele; Finn L. Sebastian; Andreas Mischok; Florian Le Roux; Francisco Tenopala Carmona; Malte C. Gather; Lutz H. Gade; Jana Zaumseil, 2024, "Bay-Substituted Octaazaperopyrenedioxides as Solid-State Emitters for Strong Light-Matter Coupling [data]", https://doi.org/10.11588/data/4TLVIJ, heiDATA, V1 Underlying data for all figures in the paper "Bay-Substituted Octaazaperopyrenedioxides as Solid-State Emitters for Strong Light-Matter Coupling." J. Mater. Chem. C 2024, 12, 2745-2755.
Efficient Intramolecular Singlet Fission in Spiro-Linked Heterodimers [research data] Mar 15, 2024 - SFB 1249: N-Heteropolyzyklen als Funktionsmaterialien - B: Theory & Structure Kefer, Oskar; Ahrens, Lukas; Han, Jie; Wollscheid, Nikolaus; Misselwitz, Erik; Rominger, Frank; Freudenberg, Jan; Dreuw, Andreas; Bunz, Uwe H. F.; Buckup, Tiago, 2024, "Efficient Intramolecular Singlet Fission in Spiro-Linked Heterodimers [research data]", https://doi.org/10.11588/data/HMRSVO, heiDATA, V1 We investigate intramolecular singlet fission (iSF) of spiro-linked azaacene heterodimers by time-resolved spectroscopy and quantum chemical calculations. Combining two different azaacenes through a nonconjugated linker using condensation chemistry furnishes azaacene heterodimers...
Two-Photon Microprinting of 3D Emissive Structures Using Tetraazaperylene-Derived Fluorophores [data] Mar 4, 2024 - Blasco Group Eichelmann, Robert; Monti, Joël; Hsu, Li-Yun; Kröger, Finn; Ballmann, Joachim; Blasco, Eva; Gade, Lutz H., 2024, "Two-Photon Microprinting of 3D Emissive Structures Using Tetraazaperylene-Derived Fluorophores [data]", https://doi.org/10.11588/data/C6UIWL, heiDATA, V1 The application of a new class of fluorophores based on a twisted tetraazaperylene core in the fabrication of emissive organic 3D microstructures has been investigated. The synthesis of a series of tetraazaperyleneamines and their corresponding octaazaperopyrenedioxides (OAPPDOs)...
Synthesis of Chiral Pyrene-Based 1,4-Dithiins [Data] Feb 22, 2024 - Institute of Organic Chemistry - AK Mastalerz Keck, Christoph; Rominger, Frank; Mastalerz, Michael, 2024, "Synthesis of Chiral Pyrene-Based 1,4-Dithiins [Data]", https://doi.org/10.11588/data/NCRUAV, heiDATA, V1 The 1,4-dithiin motif is known for its reversible redox properties to generate radical cations and diradical dications and thus is interesting for organic electronic applications. However, examples where this motif is embedded into chiral larger fused aromatic compounds is very r...

Influence of N-introduction on the electronic structure and properties of polyacenes: experiment and quantum chemistry in concert [research data]

Apr 16, 2024 - SFB 1249: N-Heteropolyzyklen als Funktionsmaterialien - B: Theory & Structure

Dreuw, Andreas; Tegeder, Petra, 2024, "Influence of N-introduction on the electronic structure and properties of polyacenes: experiment and quantum chemistry in concert [research data]", https://doi.org/10.11588/data/FEQZX9, heiDATA, V1

N-Heteropolycycles (NHPCs) represent a promising substance class for applications in functional organic materials, since their electronic structure and the resulting individual molecular properties are efficiently tuneable by number and position of nitrogen atoms in the aromatic...

Electronic Properties of Tetraazaperopyrene Derivatives on Au(111): Energy-Level Alignment and Interfacial Band Formation [research data]

Apr 16, 2024 - SFB 1249: N-Heteropolyzyklen als Funktionsmaterialien - B: Theory & Structure

Stein, Arnulf; Rolf, Daniela; Lotze, Christian; Feldmann, Sascha; Gerbert, David; Günther, Benjamin; Jeindl, Andreas; Cartus, Johannes J.; Hofmann, Oliver T.; Gade, Lutz H.; Franke, Katharina J.; Tegeder, Petra, 2024, "Electronic Properties of Tetraazaperopyrene Derivatives on Au(111): Energy-Level Alignment and Interfacial Band Formation [research data]", https://doi.org/10.11588/data/0EK2MB, heiDATA, V1

N-heteropolycyclic aromatic compounds are promising organic electron-transporting semiconductors for applications in field-effect transistors. Here, we investigated the electronic properties of 1,3,8,10-tetraazaperopyrene derivatives adsorbed on Au(111) using a complementary expe...

Excited States Dynamics at Pentacene/Perfluoropentacene Interfaces: A Femtosecond Time-Resolved Second Harmonic Generation Study [research data]

Apr 16, 2024 - SFB 1249: N-Heteropolyzyklen als Funktionsmaterialien - B: Theory & Structure

Sivanesan, Vipilan; Broch, Katharina; Tegeder, Petra, 2024, "Excited States Dynamics at Pentacene/Perfluoropentacene Interfaces: A Femtosecond Time-Resolved Second Harmonic Generation Study [research data]", https://doi.org/10.11588/data/PYEHCQ, heiDATA, V1

Understanding the dynamics of excited states after optical excitation at donor-acceptor (D/A) interfaces is of paramount importance for improving the efficiency and performance of optoelectronic devices. Here, we studied the ultrafast excited state dynamics after optical excitati...

Synthesis and structural properties of para-diselenopyrazines [data]

Mar 26, 2024 - SFB 1249: N-Heteropolyzyklen als Funktionsmaterialien - A: Synthesis

Hüßler, Christopher; Dietl, Martin C.; Kahle, Justin; Lopes, Eric F.; Kawamura, Miku; Krämer, Petra; Rominger, Frank; Rudolph, Matthias; Hachida, Iwao; Hashmi, A. Stephen K., 2024, "Synthesis and structural properties of para-diselenopyrazines [data]", https://doi.org/10.11588/data/UYS0N6, heiDATA, V1

Recently, dithienopyrazines have emerged as promising building blocks in the field of materials science, showcasing their potential as hole-transport materials in organic electronic devices. Herein, we report the synthesis of its heavier analogues, the diselenopyrazines, along wi...

Two-dimensional coherent electronic spectrometer with switchable multi-color configurations [research data]

Mar 25, 2024 - SFB 1249: N-Heteropolyzyklen als Funktionsmaterialien - B: Theory & Structure

Kefer, Oskar; Kolesnichenko, Pavel V.; Buckup, Tiago, 2024, "Two-dimensional coherent electronic spectrometer with switchable multi-color configurations [research data]", https://doi.org/10.11588/data/BLXCSM, heiDATA, V1

Broadband implementation of two-dimensional electronic spectroscopy (2DES) is a desirable goal for numerous research groups, yet achieving it presents considerable challenges. An effective strategy to mitigate these challenges is the utilization of two-color approaches, effective...

Dispersion-Driven Formation of Chiral Twisted PAH Double Helices [Data]

Mar 20, 2024 - Institute of Organic Chemistry - AK Mastalerz

Yang, Xuan; Brückner, Margit; Rominger, Frank; Kirschbaum, Tobias; Mastalerz, Michael, 2024, "Dispersion-Driven Formation of Chiral Twisted PAH Double Helices [Data]", https://doi.org/10.11588/data/BRM2DI, heiDATA, V1

Molecular double helices are ubiquitous in nature and have also been generated artificially. These are usually based on helical ribbons. Here, a new type of double helices based on twisted ribbons is introduced. The monomeric strands are polycyclic aromatic hydrocarbons of variou...

Bay-Substituted Octaazaperopyrenedioxides as Solid-State Emitters for Strong Light-Matter Coupling [data]

Mar 18, 2024 - SFB 1249: N-Heteropolyzyklen als Funktionsmaterialien - C: Material & Function

Hertzog, Manuel; Robert Eichelmann; Pierre Jeudy; Tobias Wesp; Simon Settele; Finn L. Sebastian; Andreas Mischok; Florian Le Roux; Francisco Tenopala Carmona; Malte C. Gather; Lutz H. Gade; Jana Zaumseil, 2024, "Bay-Substituted Octaazaperopyrenedioxides as Solid-State Emitters for Strong Light-Matter Coupling [data]", https://doi.org/10.11588/data/4TLVIJ, heiDATA, V1

Underlying data for all figures in the paper "Bay-Substituted Octaazaperopyrenedioxides as Solid-State Emitters for Strong Light-Matter Coupling." J. Mater. Chem. C 2024, 12, 2745-2755.

Efficient Intramolecular Singlet Fission in Spiro-Linked Heterodimers [research data]

Mar 15, 2024 - SFB 1249: N-Heteropolyzyklen als Funktionsmaterialien - B: Theory & Structure

Kefer, Oskar; Ahrens, Lukas; Han, Jie; Wollscheid, Nikolaus; Misselwitz, Erik; Rominger, Frank; Freudenberg, Jan; Dreuw, Andreas; Bunz, Uwe H. F.; Buckup, Tiago, 2024, "Efficient Intramolecular Singlet Fission in Spiro-Linked Heterodimers [research data]", https://doi.org/10.11588/data/HMRSVO, heiDATA, V1

We investigate intramolecular singlet fission (iSF) of spiro-linked azaacene heterodimers by time-resolved spectroscopy and quantum chemical calculations. Combining two different azaacenes through a nonconjugated linker using condensation chemistry furnishes azaacene heterodimers...

Two-Photon Microprinting of 3D Emissive Structures Using Tetraazaperylene-Derived Fluorophores [data]

Mar 4, 2024 - Blasco Group

Eichelmann, Robert; Monti, Joël; Hsu, Li-Yun; Kröger, Finn; Ballmann, Joachim; Blasco, Eva; Gade, Lutz H., 2024, "Two-Photon Microprinting of 3D Emissive Structures Using Tetraazaperylene-Derived Fluorophores [data]", https://doi.org/10.11588/data/C6UIWL, heiDATA, V1

The application of a new class of fluorophores based on a twisted tetraazaperylene core in the fabrication of emissive organic 3D microstructures has been investigated. The synthesis of a series of tetraazaperyleneamines and their corresponding octaazaperopyrenedioxides (OAPPDOs)...

Synthesis of Chiral Pyrene-Based 1,4-Dithiins [Data]

Feb 22, 2024 - Institute of Organic Chemistry - AK Mastalerz

Keck, Christoph; Rominger, Frank; Mastalerz, Michael, 2024, "Synthesis of Chiral Pyrene-Based 1,4-Dithiins [Data]", https://doi.org/10.11588/data/NCRUAV, heiDATA, V1

The 1,4-dithiin motif is known for its reversible redox properties to generate radical cations and diradical dications and thus is interesting for organic electronic applications. However, examples where this motif is embedded into chiral larger fused aromatic compounds is very r...

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