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1 to 10 of 29 Results
Two Dimensional Triptycene End-Capping and Its Influence on the Self-Assembly of Quinoxalinophenanthrophenazines [Data]
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...
The Radical Anion and Dianion of Benzo[3,4]cyclobuta[1,2-b]phenazine [NMR data]
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...
Synthesis of a Benzotrisazulene via Trioxobenzotrisazulene [data]
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.
Substituting density functional theory in reaction barrier calculations for hydrogen atom transfer in proteins [data]
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...
Substituted Cyclopentannulated Tetraazapentacenes [data]
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...
Solvent-Controlled Quadruple Catenation of Giant Chiral [8+12] Salicylimine Cubes Driven by Weak Hydrogen Bonding [Data]
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...
Single Crystals of Insoluble Porous Salicylimine Cages [Data]
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...
SFB 1249: N-Heteropolyzyklen als Funktionsmaterialien - C: Material & Function(Heidelberg University)
Mar 17, 2023SFB 1249: N-Heteropolyzyklen als Funktionsmaterialien
Open Research Data from SFB 1249: N-Heteropolyzyklen als Funktionsmaterialien. Research Area C: Material & Function.
SFB 1249: N-Heteropolyzyklen als Funktionsmaterialien - B: Theory & Structure(University Library of Heidelberg)
Mar 17, 2023SFB 1249: N-Heteropolyzyklen als Funktionsmaterialien
Open Research Data from SFB 1249: N-Heteropolyzyklen als Funktionsmaterialien. Research Area B: Theory & Structure.
SFB 1249: N-Heteropolyzyklen als Funktionsmaterialien - A: Synthesis(Heidelberg University)
Mar 17, 2023SFB 1249: N-Heteropolyzyklen als Funktionsmaterialien
Open Research Data from SFB 1249: N-Heteropolyzyklen als Funktionsmaterialien, Research Area A: Synthesis.
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