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51.
Mateusz Piontek Bernd Morgenstern Nils Steinbrück Bastian Oberhausen Guido Kickelbick Kaspar Hegetschweiler 《Acta Crystallographica. Section C, Structural Chemistry》2019,75(6):678-685
Liu et al. [Chin. J. Struct. Chem. (1996). 15 , 371–373] reported the structure of 6‐hydroxy‐1,4‐diazepane di(hydrogen bromide), C5H12N2O·2HBr, which was interpreted in terms of neutral diazepane and HBr molecules. We found, however, ample evidence that the formation of an organic salt, consisting of a diammonium cation and two bromide anions, is more plausible. This interpretation is also in agreement with thermogravimetric analysis and with the observed solution behaviour. The crystal structure of 6‐hydroxy‐1,4‐diazepane‐1,4‐diium dibromide, C5H14N2O2+·2Br?, measured at 142 K, crystallized in the orthorhombic space group P212121. The structure displays O—H…Br and N—H…Br hydrogen bonding. Contact distances are given. A search in the Cambridge Structural Database for the singly‐bonded H—Br moiety revealed a total of 69 structures. The question, whether these structures really include HBr as neutral molecules or rather Br? anions and a protonated substrate such as an amine, is addressed. 相似文献
52.
Huczko A Bystrzejewski M Lange H Fabianowska A Cudziło S Panas A Szala M 《The journal of physical chemistry. B》2005,109(34):16244-16251
1-D nanostructures of cubic phase silicon carbide (beta-SiC) were efficiently produced by combustion synthesis of mixtures containing Si-containing compounds and halocarbons in a calorimetric bomb. The influence of the operating parameters on 1-D SiC formation yield was studied. The heat release, the heating rate, and the chamber pressure increase were monitored during the process. The composition and structural features of the products were characterized by elemental analysis, X-ray diffraction, differential thermal analysis/ thermogravimetric technique, Raman spectroscopy, scanning and transmission electron microscopy, and energy-dispersive X-ray spectrometry. This self-induced growth process can produce SiC nanofibers and nanotubes ca. 20-100 nm in diameter with the aspect ratio higher than 1000. Bulk scale Raman studies showed the product to be comprised of mostly cubic polytype of SiC and that finite size effects are present. We believe that the nucleation mechanism involving radical gaseous species is responsible for 1-D nanostructures growth. The present study has enlarged the family of nanofibers and nanotubes available and offers a possible, new general route to 1-D crystalline materials. 相似文献
53.
Ma?gorzata Barańska Katarzyna Chruszcz Mateusz Fo?ciak 《Journal of Molecular Structure》2003,658(3):229-239
In this work the vibrational analysis of (hydroxypyridin-3-yl-methyl)phosphonic acid (MC5) is presented using both experimental and theoretical methods. FT-IR spectra of the solid state MC5 precipitated at certain pH values in which consecutive deprotonations of this ligand occurs were recorded. Thus, we were able to measure IR spectra of cationic, two anionic and zwitterion forms of MC5. Additionally, the geometry optimization and vibrational frequencies were performed at the B3PW91 level with the 6-31G** basis set for each species. As was shown, FT-IR spectra could be fairly good reproduced by a theoretical method applied here. Additionally, charge distributions and aromaticity index were calculated for discussed MC5 forms by using generalized atomic polar tensor and harmonic oscillator model of aromaticity, respectively. 相似文献
54.
Mateusz F. Serafin Kraig A. Wheeler 《Acta Crystallographica. Section C, Structural Chemistry》2007,63(11):o620-o621
The title bimolecular compound, C4H5N3·C21H18O2, constructed from 2‐aminopyrimidine and 3,3,3‐triphenylpropanoic acid, forms a tetramolecular hydrogen‐bonded motif via O—H...N, N—H...O and N—H...N contacts. This aggregate organizes to give crystal‐packing motifs with hydrophilic and hydrophobic regions. 相似文献
55.
Albrecht Lindinger Stefan M. Weber Andrea Merli Franziska Sauer Mateusz Plewicki Ludger Wste 《Journal of photochemistry and photobiology. A, Chemistry》2006,180(3):256-261
We present two novel optimization methods by employing shaped fs-laser pulses in a closed feedback loop. The first describes control pulse cleaning where extraneous features were removed by applying genetic pressure on certain pulse components. The second reports parametric optimization with intuitive parameters such as subpulse distances, chirps, phase differences, and spectral peak patterns. These methods were conducted on the ionization process of alkali dimers produced in a molecular beam and improved the performances of the optimized pulses compared with short pulses at the same pulse energy. Moreover, we attempt to analyze the obtained pulse shapes regarding the underlying optimized processes. Further investigations concerning isotope selective fragmentation and optimal control of excitation processes of ultracold rubidium dimers in a magneto-optical trap (MOT) are also shown. 相似文献
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57.
Abstract The primary hydroxyl groups (at C-6 and C-6′) in 2,3,4,3′4′-penta-O-benzyl-l′-O-methoxymethyl sucrose (2) can be reactively differentiated with tert-butyldiphenylsilyl chloride. Reaction of 2 with TBDPSCl afforded only one monosilylated product protected at C-6′ (6). The regioisomeric monoprotected sucrose 8 was prepared by selective deprotection of the double silylated derivative 7. Compound 6 was converted into 2,3,4,3′,4′-penta-O-benzyl-6-carbomethoxymethylidene-1′-O-methoxymethylsucrose 10 in three steps. Osmylation of the double bond in 10 afforded stereoisomeric homologated sucroses: 11a [6(S),7(R)] and 11b [6(R),7(S)] in the ratio 3:2. A large downfield shift of the H-1 (up to 0.5 ppm) was observed for 6′-silylated derivatives. 相似文献
58.
Inside Back Cover: Facile and Divergent Synthesis of Lamellarins and Lactam‐Containing Derivatives with Improved Drug Likeness and Biological Activities (Chem. Asian J. 12/2015)
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59.
ABSTRACT Three sucrose monoalcohols with free hydroxyl groups at C-1', C-6, and C-6' (1, 4, and 6) were prepared selectively and in good yield from 2,3,3',4,4'-penta-O-benzylsucrose. These compounds were oxidized to aldehydes and reacted with stabilized ylide, Ph3P=CHCO2Me to afford appropriate α,β-unsaturated esters 10, 11, and 12. Each olefin was cis-hydroxylated with OsO4/NMO to stereoisomeric diols 13/14, 15/16, and 17/18, configurations of which were assigned by chemical correlation and CD evaluation. Stereoselectivity of the osmylation reaction was surprisingly low (ca 3:2), especially as compared to a similar process performed on simple derivatives of 6,7-unsaturated methyl glycosides for which the ratio of isomeric diols was assigned as 10:1. The osmylation of 11 (derivative homologated by a C2-unit at the glucose part) did not obey Kishi's rule. Horner-Emmons reaction of sucrose aldehyde 7 with a sugar-derived phosphonate 22 afforded α,β-unsaturated derivative 24, homologated by a C7-unit at the glucose end. 相似文献
60.
Mateusz Tykierko 《Central European Journal of Operations Research》2007,15(3):223-233
The problem of change detection in dynamical systems originated from ordinary differential equations and real world phenomena
is covered. Until now suitable methods for detecting changes for linear systems and nonlinear systems have been elaborated
but there are no such method for chaotic systems. In this paper we propose the method of change detection based on the fractal
dimension, which is the one of characteristics dynamical system invariants. The application of the method is illustrated with
simulations. 相似文献