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排序方式: 共有858条查询结果,搜索用时 31 毫秒
851.
Dr. Asfandyar Sikandar Dr. Alexander Popoff Dr. Ravindra P. Jumde Dr. Attila Mándi Dr. Amninder Kaur Dr. Walid A. M. Elgaher Dr. Lara Rosenberger Dr. Stephan Hüttel Dr. Rolf Jansen Dr. Maja Hunter Prof. Dr. Jesko Köhnke Prof. Dr. Anna K. H. Hirsch Prof. Dr. Tibor Kurtán Prof. Dr. Rolf Müller 《Angewandte Chemie (International ed. in English)》2023,62(40):e202306437
Even with the aid of the available methods, the configurational assignment of natural products can be a challenging task that is prone to errors, and it sometimes needs to be corrected after total synthesis or single-crystal X-ray diffraction (XRD) analysis. Herein, the absolute configuration of amidochelocardin is revised using a combination of XRD, NMR spectroscopy, experimental ECD spectra, and time-dependent density-functional theory (TDDFT)-ECD calculations. As amidochelocardin was obtained via biosynthetic engineering of chelocardin, we propose the same absolute configuration for chelocardin based on the similar biosynthetic origins of the two compounds and result of TDDFT-ECD calculations. The evaluation of spectral data of two closely related analogues, 6-desmethyl-chelocardin and its semisynthetic derivative 1 , also supports this conclusion. 相似文献
852.
Gyrgy Keglevich Jnos Kovcs ron Szllsy Attila Kovcs Andrea Szab Krisztina Ludnyi Istvn Kdas Lszl Tke 《Heteroatom Chemistry》2003,14(1):29-35
In the presence of tetracyanoethylene, the reaction of two molecules of dihydrophosphinine oxide 2B followed an unexpected route to afford diphosphatricyclododecatrienes 4 instead of the corresponding Diels–Alder cycloadducts ( 3 ). Structures of the products ( 4 ) have been elucidated by a joint application of spectroscopy and quantum chemical calculations. © 2003 Wiley Periodicals, Inc. Heteroatom Chem 14:29–35, 2003; Published online in Wiley InterScience (www.interscience.wiley.com). DOI 10.1002/hc.10062 相似文献
853.
The pressure dependence of liquid-liquid equilibria in weakly interacting binary macromolecular systems (homopolymer solutions and blends) will be discussed. The common origin of the separate high-temperature/low-temperature and high-pressure/low-pressure branches of demixing curves will be demonstrated by extending the study into the region of metastable liquid states including the undercooled, overheated and stretched states (i.e. states at negative pressures). The seemingly different response of the UCST-branch of solutions and blends when pressurized (pressure induced mixing for most polymer solutions, pressure induced demixing for most blends) will be explained in terms of the location of a hypercritical point found either at positive (most solutions) or negative pressure (most blends). Further, it is shown that the pressure dependence of demixing of homopolymer solutions and blends may be described using a ‘master-curve’ which, however, is sometimes partly masked by degradation or by vapour-liquid and/or solid-liquid phase transitions. Experimental results demonstrating the extension of liquid-liquid phase boundary curves into the metastable regions will be presented, and the existence of solubility islands in the vicinity of the hypercritical points discussed. 相似文献
854.
Attila Kovacs 《ChemInform》2002,33(30):no-no
ChemInform is a weekly Abstracting Service, delivering concise information at a glance that was extracted from about 100 leading journals. To access a ChemInform Abstract of an article which was published elsewhere, please select a “Full Text” option. The original article is trackable via the “References” option. 相似文献
855.
Gyrgy Keglevich Attila Kovcs Lszl Tke Klmn Újszszy Gyula Argay Mtys Czugler Alajos Klmn 《Heteroatom Chemistry》1993,4(4):329-335
Preparation of P-amino-3-phosphabicyclo[3.1.0]-hexane 3-oxides either by addition of dichlorocarbene to the double bond of 1-amino-2,5-dihydro-1H-phosphole 1-oxides or by substitution of the P-chloro derivative of the bicyclic system was accomplished. Two different diastereomers are obtained by the two approaches; their 13C NMR spectra were interpreted on the basis of the P-ethoxy isomers, whose structures were confirmed by X-ray analysis. The P-hydroxy adduct was also prepared, and it was found that intermolecular O H … O hydrogen bonding connects the molecules together in the solid phase. This effect eliminates the possibility of diastereoisomerism, as was also observed in the case of P-hydroxy tetrahydrophosphinine oxides. Thermolysis of the P-hydroxy adduct is a better way to synthesize 1-hydroxy-1,2-dihydrophosphinine oxides than by hydrolysis of the phosphinic chlorides. 相似文献
856.
Rita Dobszay Péter J. Mayer Tamás Holczbauer Attila Kunfi András Stirling Gábor London 《Helvetica chimica acta》2023,106(9):e202300079
The investigation of the biphenylene (BP)-tetracyanoethylene (TCNE) π-molecular complex is reported. The first study on this complex appeared in 1961 and was considered as a charge transfer complex with a symmetric, co-planar arrangement of the components. Moreover, it was assumed that this arrangement is not only dictated by the formation of a Mulliken-type donor-acceptor complex, but also by the electronic stabilization of the ‘cyclobutadieneoid’ central ring of biphenylene through complex formation. Yet, crystal structure and associated computational analysis have not verified these predictions so far. We found that factors other than charge-transfer interactions are most influential in the crystal formation. The low association constant in solution, and the weak interaction between the components in the 1 : 1 crystal structure point towards the low contribution of charge transfer interactions to their binding. Nevertheless, the presence of these interaction is hinted by the color of its solution and verified by theoretical calculations. Furthermore, Nucleus Independent Chemical Shift (NICS) calculations were carried out to characterize potential changes in the (anti)aromatic character of BP upon complex formation. The NICS(0) values of the rings of BP exhibit tiny changes both in the BP-TCNE dimer and in the crystal, which also suggests weak electronic interactions between them. 相似文献
857.
858.
Irén Simkó Christoph Schran Fabien Brieuc Csaba Fábri Oskar Asvany Stephan Schlemmer Dominik Marx Attila G. Császár 《Angewandte Chemie (International ed. in English)》2023,62(41):e202306744
Quantum mechanics dictates that nuclei must undergo some delocalization. In this work, emergence of quantum nuclear delocalization and its rovibrational fingerprints are discussed for the case of the van der Waals complex . The equilibrium structure of is planar and T-shaped, one He atom solvating the quasi-linear He−H+−He core. The dynamical structure of , in all of its bound states, is fundamentally different. As revealed by spatial distribution functions and nuclear densities, during the vibrations of the molecule the solvating He is not restricted to be in the plane defined by the instantaneously bent chomophore, but freely orbits the central proton, forming a three-dimensional torus around the chromophore. This quantum delocalization is observed for all vibrational states, the type of vibrational excitation being reflected in the topology of the nodal surfaces in the nuclear densities, showing, for example, that intramolecular bending involves excitation along the circumference of the torus. 相似文献