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1.
Ghochikyan T. V. Vardanyan A. S. Samvelyan M. A. Galstyan A. S. Langer P. 《Russian Journal of Organic Chemistry》2019,55(2):279-281
Russian Journal of Organic Chemistry - The reactions of 2-(2-chloroprop-2-en-1-yl)-5,5-dimethyloxolan-2-one with arylboronic acids in the presence of Pd(PPh3)4 and K2CO3 was used to synthesize... 相似文献
2.
The gauge symmetry group of any slave boson representation allows to gauge away the phase of bosonic fields. One benefit of this radial field formulation is the elimination of spurious Bose condensations when saddle-point approximation is performed. Within the Kotliar–Ruckenstein representation, three of the four bosonic fields can be radial while the last one has to remain complex. In this work, the procedure to carry out the functional integration involving constrained fermionic fields, complex bosonic fields, and radial bosonic fields is presented. The correctness of the representation is verified by exactly evaluating the partition function and the Green's function of the Hubbard model in the atomic limit. 相似文献
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Dr. Lisa Vondung Dr. Paul Jerabek Dr. Robert Langer 《Chemistry (Weinheim an der Bergstrasse, Germany)》2019,25(12):3068-3076
A systematic quantum chemical study of the bonding in d6-transition-metal complexes, containing phosphine-stabilized, main-group-element fragments, (R3P)2E, as ligands (E=AlH, BH, CH+, C), is reported. By using energy decomposition analysis, it is demonstrated that a strong M−E bond is accompanied by weak P−E bonds, and vice versa. Although the Al−M bond is, for example, found to be very strong, the weak Al−P bond suggests that the corresponding metal complexes will not be stable towards phosphine dissociation. The interaction energies for the boron(I)-based ligand are lower, but still higher than those for two-carbon-based ligands. For neutral ligands, electrostatic interactions are the dominating contributions to metal–ligand bonding, whereas for the cationic ligand a significant destabilization, with weak orbital and even weaker electrostatic metal–ligand interactions, is observed. Finally, for iron(II) complexes, it is demonstrated that different reactivity patterns are expected for the four donor groups: the experimentally observed reversible E−H reductive elimination of the borylene-based ligand (E=BH) exhibits significantly higher barriers for the protonated carbodiphosphorane (CDP) ligand (E=CH) and would proceed through different intermediates and transition states. For aluminum, such reaction pathways are not feasible (E=AlH). Moreover, it is demonstrated that the metal hydrido complexes with CDP ligands might not be stable towards reduction and isomerization to a protonated CDP ligand and a reduced metal center. 相似文献
5.
Rebeca P. Medina Angela R. Araujo Raymond J. Andersen Marcos A. Soares Fabio de A. Silva 《Natural product research》2019,33(3):443-446
Endophytic fungi were isolated from red alga Asparagopsis taxiformis - Falkenbergia stage, collected from the Brazilian coast, and were identified as Annulohypoxylon stygium (AT-03) and A. yungensis (AT-06) based on their macro/micromorphological and molecular features. Bioassay-guided fractionation of the EtOAc extract from laboratory cultures of both strains yielded known compounds pyrogallol from A. stygium, (3R)-scytalone and (3R,4R)-4-hydroxy-scytalone from A. yungensis. Pyrogallol was active against methicillin-resistant Staphylococcus aureus (MRSA) and Escherichia coli strains. An inactive fraction from A. stygium afforded two additional compounds, (3R,4R)-3,4,5-trihydroxy-1-tetralone and tyrosol. Optically active compounds had their stereochemistry determined by circular dichroism (CD) spectroscopy. 相似文献
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Journal of Fourier Analysis and Applications - Suppose that $$\{X_{m,n}\}_{(m,n)\in \mathbb {Z}^2}$$ is a centered, weakly stationary random field with spectral density function W. Let $$X'$$... 相似文献
8.
Yinwu Li Jiahao Liu Dr. Xiao Huang Prof. Dr. Ling-Bo Qu Prof. Dr. Cunyuan Zhao Prof. Dr. Robert Langer Prof. Dr. Zhuofeng Ke 《Chemistry (Weinheim an der Bergstrasse, Germany)》2019,25(60):13785-13798
As a new type of bifunctional catalyst, the Lewis acid transition-metal (LA-TM) catalysts have been widely applied for hydrogen activation. This study presents a mechanistic framework to understand the LA-TM-catalyzed H2 activation through DFT studies. The mer(trans)-homolytic cleavage, the fac(cis)-homolytic cleavage, the synergetic heterolytic cleavage, and the dissociative heterolytic cleavage should be taken as general mechanisms for the field of LA-TM catalysis. Four typical LA-TM catalysts, the Z-type κ4-L3B-Rh complex tri(azaindolyl)borane-Rh, the X-type κ3-L2B-Co complex bis-phosphino-boryl (PBP)-Co, the η2-BC-type κ3-L2B-Pd complex diphosphine-borane (DPB)-Pd, and the Z-type κ2-LB-Pt complex (boryl)iminomethane (BIM)-Pt are selected as representative models to systematically illustrate their mechanistic features and explore the influencing factors on mechanistic variations. Our results indicate that the tri(azaindolyl)borane-Rh catalyst favors the synergetic heterolytic mechanism; the PBP-Co catalyst prefers the mer(trans)-homolytic mechanism; the DPB-Pd catalyst operates through the fac(cis)-homolytic mechanism, whereas the BIM-Pt catalyst tends to undergo the dissociative heterolytic mechanism. The mechanistic variations are determined by the coordination geometry, the LA-TM bonding nature, the electronic structure of the TM center, and the flexibility or steric effect of the LA ligands. The presented mechanistic framework should provide helpful guidelines for LA-TM catalyst design and reaction developments. 相似文献
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We consider non-self-adjoint electromagnetic Schrödinger operators on arbitrary open sets with complex scalar potentials whose real part is not necessarily bounded from below. Under a suitable sufficient condition on the electromagnetic potential, we introduce a Dirichlet realisation as a closed densely defined operator with non-empty resolvent set and show that the eigenfunctions corresponding to discrete eigenvalues satisfy an Agmon-type exponential decay. 相似文献