1 to 10 of 24 Results
Mar 27, 2023 - Institute of Organic Chemistry - AK Mastalerz
Roß, Lisa; Reitemeier, Julius; Ghalami, Farhad; Zhang, Wen-Shan; Gross, Jürgen H.; Rominger, Frank; Elbert, Sven M.; Schröder, Rasmus; Elstner, Marcus; Mastalerz, Michael, 2023, "Two Dimensional Triptycene End-Capping and Its Influence on the Self-Assembly of Quinoxalinophenanthrophenazines [Data]", https://doi.org/10.11588/data/W3KWEJ, heiDATA, V1
A series of quinoxalinophenanthrophenazines (QPPs) with two-dimensional triptycene end-caps was synthesized from a triphenylene base ortho-diamine. UV/vis spectroscopy suggested the formation of dimers in solution which was further confirmed by MALDI-TIMS-TOF-MS and single crysta... |
Feb 6, 2023 - Bunz Group
Zhu Wu; Nikolai Hippchen; Jie Han; Lei Ji; Alexandra Friedrich; Ivo Krummenacher; Holger Braunschweig; Johannes Krebs; Michael Moos; Philipp Biegger; Olena Tverskoy; Steffen Maier; Christoph Lambert; Andreas Dreuw; Todd B. Marder; Jan Freudenberg; Uwe H. F. Bunz, 2023, "The Radical Anion and Dianion of Benzo[3,4]cyclobuta[1,2-b]phenazine [NMR data]", https://doi.org/10.11588/data/JCO0E4, heiDATA, V1
The data set includes the NMR data for the puplication: "The Radical Anion and Dianion of Benzo[3,4]cyclobuta[1,2-b]phenazine". We present the reduction of two azaarenes, featuring a single cyclobutadiene unit, to their radical anions and dianions. The reduced species were prepar... |
Aug 23, 2023 - Institute of Organic Chemistry - AK Mastalerz
Kirschbaum, Tobias; Rominger, Frank; Mastalerz, Michael, 2023, "Synthesis of a Benzotrisazulene via Trioxobenzotrisazulene [data]", https://doi.org/10.11588/data/JE8LF7, heiDATA, V1
A benzotrisazulene was synthesized on the basis of a truxene precursor by a series of Suzuki–Miyaura reactions via the intermediate trisoxo compound. The latter occurs in two forms (syn and anti), and the syn forms porous crystals. |
Dec 7, 2023 - HITS MBM
Riedmiller, Kai; Reiser, Patrick; Bobkova, Elizaveta; Maltsev, Kiril; Gryn’ova, Ganna; Friederich, Pascal; Gräter, Frauke, 2023, "Substituting density functional theory in reaction barrier calculations for hydrogen atom transfer in proteins [data]", https://doi.org/10.11588/data/TGDD4Y, heiDATA, V2
Hydrogen atom transfer (HAT) reactions are important in many biological systems. As these reactions are hard to observe experimentally, it is of high interest to shed light on them using simulations. Here, we present a machine learning model based on graph neural networks for the... |
Feb 6, 2023 - Bunz Group
Maier, Steffen, 2023, "Substituted Cyclopentannulated Tetraazapentacenes [data]", https://doi.org/10.11588/data/AUTKBW, heiDATA, V1
Brominated pentannulated dihydrotetraazapentacenes were prepared by gold- or palladium-catalyzed 5-endo-dig cyclization of TIPS-ethynylated dihydrotetraazaacenes (TIPS = triisopropylsilyl). Post-functionalization was demonstrated by Sonogashira alkynylation and Rosenmund-von Brau... |
Aug 23, 2023 - Institute of Organic Chemistry - AK Mastalerz
Wagner, Philippe; Rominger, Frank; Gross, Jürgen H.; Mastalerz, Michael, 2023, "Solvent-Controlled Quadruple Catenation of Giant Chiral [8+12] Salicylimine Cubes Driven by Weak Hydrogen Bonding [Data]", https://doi.org/10.11588/data/TIYBD2, heiDATA, V1
A quadruply interlocked catenane has been formed from giant chiral [8+12] salicylimine cubes in a reaction that can be controlled by the reaction solvent. Single-crystal X-ray diffraction revealed hydrogen bonding to be a central driving force for the catenation. Furthermore, scr... |
Aug 23, 2023 - Institute of Organic Chemistry - AK Mastalerz
Holsten, Mattes; Elbert, Sven Michael; Rominger, Frank; Zhang, Wen-Shan; Schröder, Rasmus R.; Mastalerz, Michael, 2023, "Single Crystals of Insoluble Porous Salicylimine Cages [Data]", https://doi.org/10.11588/data/45FZRY, heiDATA, V1
Porous organic cages (POCs) are meanwhile an established class of porous materials. Most of them are soluble to a certain extend and thus processable in or from solution. However, a few of larger salicylimine cages were reported to be insoluble in any organic solvents and thus ch... |
Apr 4, 2023 - Bunz Group
Hippchen, Nikolai; Heinzel, Elena; Zhang, Cathy K.; Jäger, Patrick; Elter, Maximilian; Ludwig, Philipp; Rominger, Frank; Freudenberg, Jan; Cao, Dennis D.; Bunz, Uwe H. F., 2023, "Second Generation of Cata-Annulated Azaacene Bisimides: Towards Electron Accepting Materials [research data]", https://doi.org/10.11588/data/U9IRYY, heiDATA, V1
Herein we provide the reserach data for the puplication: "Second Generation of Cata-Annulated Azaacene Bisimides: Towards Electron Accepting Materials". Where we present the second generation of cata-annulated azaacene bisimides with increased electron affinities compared to thei... |
Aug 23, 2023 - Institute of Organic Chemistry - AK Mastalerz
Popp, Dennis; Elbert, Sven Michael; Barwig, Chantal; Petry, Julian; Rominger, Frank; Mastalerz, Michael, 2023, "Palladium-Catalyzed Cyclization of a Pyryne Precursor to Higher Pyrenylenes [Data]", https://doi.org/10.11588/data/1TCKKG, heiDATA, V1
By palladium-catalyzed oligomerization reactions of pyrene-based o-trimethylsilyl triflates, larger cyclic pyrenylenes were formed with up to 10-membered rings as has been unambiguously characterized by SCXRD. Furthermore, the underlying reaction mechanism has been studied by qua... |
Jun 5, 2023 - Nanomaterials for Optoelectronics NMOE
Lindenthal, Sebastian Steffen; Fazzi, Daniele; Zorn, Nicolas Frederic; El Yumin, Abdurrahman Ali; Settele, Simon; Weidinger, Britta; Blasco, Eva; Zaumseil, Jana, 2023, "Optical properties of doped and undoped 9-armchair graphene nanoribbons [data]", https://doi.org/10.11588/data/JAV0ZK, heiDATA, V1
Graphene nanoribbons are one-dimensional stripes of graphene with width- and edge-structure-dependent electronic properties. They can be synthesized bottom-up to obtain precise ribbon geometries. Here we investigate the optical properties of solution-synthesized 9-armchair graphe... |
