21 to 30 of 114 Results
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... |
Feb 1, 2024 - Bunz Group
Zong, Wansheng; Hippchen, Nikolai; Nico, Zeitter; Maier, Steffen; Philipp, Ludwig; Rominger, Frank; Freudenberg, Jan; Bunz, Uwe H. F., 2024, "Stable Azaheptacenes", https://doi.org/10.11588/data/P9AVCU, heiDATA, V1
we have developed a novel access to stable azaheptacenes and investigated both their (air-stable) radical anions as well as dianions. The two azaheptacenes are significantly more stable than reported examples. We identified their structure through NMR, IR, MS and X-ray crystallog... |
Jan 27, 2021 - CryoEM
Kammerer, Jochen A.; Duan, Xiaoyang; Neubrech, Frank; Schröder, Rasmus R.; Liu, Na; Pfannmöller, Martin, 2021, "Stabilizing γ-MgH₂ at Nanotwins in Mechanically Constrained Nanoparticles [Research Data and Source Code]", https://doi.org/10.11588/data/LMMXAI, heiDATA, V1
Research Data and Source Code associated with the related publication. |
Jan 25, 2024 - Bunz Group
Ludwig, Philipp; Rominger, Frank; Freudenberg, Jan; Bunz, Uwe H. F., 2024, "Stabilization of Acenes: “Geländer”-Pentacenes [data]", https://doi.org/10.11588/data/NITIKZ, heiDATA, V1
We report soluble tetrakis-biphenyl substituted pentacenes comprised of sp2 carbons and synthesized from pentacene-5,7,12,14-tetraone. Intramolecular Yamamoto coupling of two tetrakis(chlorobiphenylyl)pentacenes yields helical, doubly wrapped pentacenes, in which the quaterphenyl... |
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... |
Jan 17, 2022 - Institute of Organic Chemistry - AK Mastalerz
Holsten, Mattes; Feierabend, Sarah; Elbert, Sven M.; Rominger, Frank; Oeser, Thomas; Mastalerz, Michael, 2022, "Soluble Congeners of Prior Insoluble Shape‐Persistent Imine Cages [Data]", https://doi.org/10.11588/data/E2RPGA, heiDATA, V1
One of the most applied reaction types to synthesize shape‐persistent organic cage compounds is the imine condensation reaction and it is assumed that the formed cages are thermodynamically controlled products due to the reversibility of the imine condensation. However, most of t... |
Jun 17, 2021 - Troposhere, Free Radicals & Volcanic Emissions
Dinger, Florian; Kleinbek, Timo; Dörner, Steffen; Bobrowski, Nicole; Platt, Ulrich; Wagner, Thomas; Ibarra, Martha; Espinoza, Eveling, 2021, "SO2 and BrO emissions of Masaya volcano from 2014 to 2020 [Research Data]", https://doi.org/10.11588/data/IX51KS, heiDATA, V1, UNF:6:VbhqF5vB+XRklpsSgIST5A== [fileUNF]
EXCERPT FROM ABSTRACT: Masaya (Nicaragua, 12.0°N, 86.2°W; 635m a.s.l.) is one of the few volcanoes hosting a lava lake, today. This study has two foci: (1) discussing the state of the art of long-term SO2 emission flux monitoring with the example of Masaya and (2) the provision a... |
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... |
Mar 17, 2023SFB 1249: N-Heteropolyzyklen als Funktionsmaterialien
Open Research Data from SFB 1249: N-Heteropolyzyklen als Funktionsmaterialien. Research Area C: Material & Function. |
