排序方式: 共有66条查询结果,搜索用时 31 毫秒
1.
2.
3.
4.
5.
6.
Timo Glaser Jannick Meinecke Lukas Freund Dr. Christian Länger Jan-Niclas Luy Prof. Dr. Ralf Tonner Prof. Dr. Ulrich Koert Prof. Dr. Michael Dürr 《Chemistry (Weinheim an der Bergstrasse, Germany)》2021,27(31):8082-8087
The additive-free tetrazine/enol ether click reaction was performed in ultra-high vacuum (UHV) with an enol ether group covalently linked to a silicon surface: Dimethyl 1,2,4,5-tetrazine-3,6-dicarboxylate molecules were coupled to the enol ether group of a functionalized cyclooctyne which was adsorbed on the silicon (001) surface via the strained triple bond of cyclooctyne. The reaction was observed at a substrate temperature of 380 K by means of X-ray photoelectron spectroscopy (XPS). A moderate energy barrier was deduced for this click reaction in vacuum by means of density functional theory based calculations, in good agreement with the experimental results. This UHV-compatible click reaction thus opens a new, flexible route for synthesizing covalently bound organic architectures. 相似文献
7.
Complex Surface Chemistry of an Otherwise Inert Solvent Molecule: Tetrahydrofuran on Si(001)
下载免费PDF全文
![点击此处可从《Chemphyschem》网站下载免费的PDF全文](/ch/ext_images/free.gif)
Dr. Gerson Mette Marcel Reutzel Dr. Ruben Bartholomäus Dr. Slimane Laref Dr. Ralf Tonner Prof. Dr. Michael Dürr Prof. Dr. Ulrich Koert Prof. Dr. Ulrich Höfer 《Chemphyschem》2014,15(17):3725-3728
The reaction of tetrahydrofuran (THF), an otherwise inert solvent molecule, on Si(001) was experimentally studied in ultra‐high vacuum. Using scanning tunneling microscopy (STM) and photoelectron spectroscopy at variable temperature, we could both isolate a datively bound intermediate state of THF on Si(001), as well as the final configuration that bridges two dimer rows of the Si(001) surface after ether cleavage. The latter configuration implies splitting of the O?C bond, which is typically kinetically suppressed. THF thus exhibits a hitherto unknown reactivity on Si(001). 相似文献
8.
Lewis Acids as Activators in CBS‐Catalysed Diels–Alder Reactions: Distortion Induced Lewis Acidity Enhancement of SnCl4
下载免费PDF全文
![点击此处可从《Chemistry (Weinheim an der Bergstrasse, Germany)》网站下载免费的PDF全文](/ch/ext_images/free.gif)
Dr. Alexander R. Nödling Robert Möckel Dr. Ralf Tonner Prof. Dr. Gerhard Hilt 《Chemistry (Weinheim an der Bergstrasse, Germany)》2016,22(37):13171-13180
The effect of several Lewis acids on the CBS catalyst (named after Corey, Bakshi and Shibata) was investigated in this study. While 2H NMR spectroscopic measurements served as gauge for the activation capability of the Lewis acids, in situ FT‐IR spectroscopy was employed to assess the catalytic activity of the Lewis acid oxazaborolidine complexes. A correlation was found between the Δδ(2H) values and rate constants kDA, which indicates a direct translation of Lewis acidity into reactivity of the Lewis acid–CBS complexes. Unexpectedly, a significant deviation was found for SnCl4 as Lewis acid. The SnCl4–CBS adduct was much more reactive than the Δδ(2H) values predicted and gave similar reaction rates to those observed for the prominent AlBr3–CBS adduct. To rationalize these results, quantum mechanical calculations were performed. The frontier molecular orbital approach was applied and a good correlation between the LUMO energies of the Lewis acid–CBS–naphthoquinone adducts and kDA could be found. For the SnCl4–CBS–naphthoquinone adduct an unusual distortion was observed leading to an enhanced Lewis acidity. Energy decomposition analysis with natural orbitals for chemical valence (EDA‐NOCV) calculations revealed the relevant interactions and activation mode of SnCl4 as Lewis acid in Diels–Alder reactions. 相似文献
9.
Theoretical investigations into the enantiomeric and racemic forms of α-(trifluoromethyl)lactic acid
Tonner R Soloshonok VA Schwerdtfeger P 《Physical chemistry chemical physics : PCCP》2011,13(3):811-817
There are many different hypotheses on the origin of biomolecular homochirality. One possible scenario concerns the enantiomeric enrichment of a nearly racemic solid via self-disproportionation of enantiomers. In particular, in a recent paper Soloshonok and co-workers showed a first example of optical self-purification of α-(trifluoromethyl)lactic acid by sublimation [V. A. Soloshonok et al., J. Am. Chem. Soc. 2007, 129, 12112]. Here we present detailed theoretical studies of α-(trifluoromethyl)lactic acid in the solid state as well as in the gas-phase dimeric form. The calculations of energy differences between dimers show that in the solid state the enantiomeric pure compound is energetically preferred, while in the gas phase the equilibrium shifts towards the racemic mixture although thermodynamic corrections cannot be neglected, thus providing a detailed microscopic explanation for the enantio-purification process for the first time. 相似文献
10.