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Thomas Özgün Dr. Klaus Bergander Dr. Lei Liu Dr. Constantin G. Daniliuc Prof. Dr. Stefan Grimme Dr. Gerald Kehr Prof. Dr. Gerhard Erker 《Chemistry (Weinheim an der Bergstrasse, Germany)》2016,22(34):11958-11961
The energy profile of a frustrated Lewis pair (FLP) dihydrogen splitting system was determined by a combined experimental kinetic and DFT study. A trimethylene‐bridged phosphane–borane FLP was converted into its endothermic H2‐cleavage product by sequential H+/H? addition. The system could be handled at low temperature, and the kinetics of the H2 elimination were determined to give a rate constant of kHH,exp(299 K)=(2.87±0.1)×10?4 s?1 in solution. The primary kinetic isotope effects were determined; for example, (kHH/kDD)exp=3.19. The system was accurately analyzed by DFT calculations. 相似文献
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Dr. Xiaoming Jie Dr. Qiu Sun Dr. Constantin G. Daniliuc Robert Knitsch Prof. Dr. Michael Ryan Hansen Prof. Dr. Hellmut Eckert Dr. Gerald Kehr Prof. Dr. Gerhard Erker 《Chemistry (Weinheim an der Bergstrasse, Germany)》2020,26(6):1269-1273
The active six-membered cyclo-FLP 6 undergoes a rapid P/B addition reaction to carbon dioxide. At elevated temperature, the resulting heterobicyclo[2.2.2]octane derived product 7 undergoes ring opening and equilibrates with the cyclotetramer (7)4 . In the large macrocyclic structure, four monomeric six-membered cyclo-FLP units are connected by four CO2 molecules to form the supramolecular ring system. The P/B cyclo-FLP 6 undergoes a variety of additional cycloaddition reactions. 相似文献
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Numerical Algorithms - We will refer to the paper “Convergence rates for Kaczmarz-type algorithms”, published in Numerical Algorithms, 79(1)(2018), 1-17. It was observed by Dr. Mokhtar... 相似文献
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Marian Apostol Victor Barsan Constantin Nantea 《Molecular Crystals and Liquid Crystals》2013,570(1):453-456
Jordan's boson representation and cut-off repolarization for the one-dimensional two-fermion model (TFT) is used to get the equivalence of the model with the two-dimensional Coulomb gas and sine-Gordon model. The scaling equations for the coupling constants are thereby obtained up to the third order. 相似文献
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Constantin Mateescu Ecaterina Princz Gilles Bouet Mustayeen A. Khan 《Phosphorus, sulfur, and silicon and the related elements》2013,188(4):947-958
The complex formation equilibrium of ethylenediaminetetramethylenephosphonic acid (EDTMP, H8L) with iron (III) has been studied potentiometrically at 25°C and an ionic strength of 0.2 M (NaCl). The successive protonation constants of ligand EDTMP and the complex formation constants were determined with the PSEQUAD program. Keeping in view the biological studies, the speciation in the system Fe (III)—EDTMP was calculated and drawn with the HySS computer program, and pFe values are compared. 相似文献