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291.
Xiaodong Hou Jonathan Butz Jiao Chen Zijun D. Wang Julia X. Zhao Tiffany Shiu Qianli Rick Chu 《Tetrahedron letters》2017,58(1):101-105
A group of new low molecular weight organogelators based on threefold symmetric tricarbamate were synthesized and characterized. The tricarbamates with long alkyl chains were able to gelate a wide range of polar and nonpolar organic solvents such as acetonitrile and cyclohexane, generally at concentrations lower than 20 g/L. The best organogel formation was obtained using a threefold symmetric tricarbamate in n-dodecane, in which a sufficiently transparent gel was formed at the critical gelation concentration 1 g/L. Intermolecular hydrogen bonding by the tricarbamate in a nonpolar solvent benzene-d6 was indicated by 1H NMR spectra. Its maximum UV absorption was 11 nm higher in chloroform than in n-dodecane, and this red shift indicated increased conjugation between the benzene core and the carbamate substituents, which confirmed a change in its conformation from nonpolar to polar solvent. The self-assembling behavior of the tricarbamate in dilute solutions was investigated by TEM. Fiber-like networks were observed in a large range of solution concentrations. 相似文献
292.
293.
Graham Smith Urs D. Wermuth Jonathan M. White 《Acta Crystallographica. Section C, Structural Chemistry》2005,61(11):o621-o624
The structure of brucinium dihydrogen citrate trihydrate (systematic name: 2,3‐dimethoxy‐10‐oxostrychnidinium dihydrogen citrate trihydrate), C23H27N2O4+·C6H7O7−·3H2O, has been determined at 130 K. The crystallographic asymmetric unit comprises two brucinium cations, two dihydrogen citrate anions and six water molecules of solvation. The two citrate anions, which are conformationally dissimilar, associate through extensive hydrogen‐bonding interactions with the common undulating brucinium cation layer substructures and the water molecules, forming a three‐dimensional framework polymer. 相似文献
294.
A series of triazole analogues of the nanaomycin family of antibiotics have been prepared using a ‘click’ dipolar cycloaddition of a naphthalene azide to various alkynes, followed by oxidation to the desired pyranonaphthoquinones. 相似文献
295.
296.
Dr. Flávio Figueira Igor Marques Dr. Andreia S. F. Farinha Prof. Dr. Augusto C. Tomé Prof. Dr. José A. S. Cavaleiro Prof. Dr. Artur M. S. Silva Prof. Dr. Jonathan Sessler Prof. Dr. Vítor Félix Prof. Dr. João P. C. Tomé 《Chemistry (Weinheim an der Bergstrasse, Germany)》2016,22(40):14349-14355
A novel sapphyrin derivative was obtained from the reaction between a free‐base sapphyrin and dimethyl acetylenedicarboxylate (DMAD). The formation of the new compound involved a double aza‐Michael addition of two pyrrolic NH groups to a DMAD molecule, with the formation of a disubstituted ethano bridge. The NMR spectral data reveal a product with an unsymmetrical structure; DFT calculations provided support for a structure in which the ethano bridge links two adjacent pyrrole units. The present study provides a seemingly unprecedented example of an N,N′‐dinucleophile reacting with DMAD to form a heterocyclic compound in which the two N‐atoms are linked to the two sp3 carbon atoms derived from a substituted acetylene. 相似文献
297.
298.
Attila G. Császár Tamás Szidarovszky Nikolai F. Zobov Oleg L. Polyansky Jonathan Tennyson 《Journal of Quantitative Spectroscopy & Radiative Transfer》2010,111(9):1043-1106
A new, accurate, global, mass-independent, first-principles potential energy surface (PES) is presented for the ground electronic state of the water molecule. The PES is based on 2200 energy points computed at the all-electron aug-cc-pCV6Z IC-MRCI(8,2) level of electronic structure theory and includes the relativistic one-electron mass-velocity and Darwin corrections. For H216O, the PES has a dissociation energy of D0 = 41 109 cm−1 and supports 1150 vibrational energy levels up to 41 083 cm−1. The deviation between the computed and the experimentally measured energy levels is below 15 cm−1 for all the states with energies less than 39 000 cm−1. Characterization of approximate vibrational quantum numbers is performed using several techniques: energy decomposition, wave function plots, normal mode distribution, expectation values of the squares of internal coordinates, and perturbing the bending part of the PES. Vibrational normal mode labels, though often not physically meaningful, have been assigned to all the states below 26 500 cm−1 and to many more above it, including some highly excited stretching states all the way to dissociation. Issues to do with calculating vibrational band intensities for the higher-lying states are discussed. 相似文献
299.
The cathode–electrolyte interface in a solid oxide fuel cell is examined to understand why premature delamination is observed in alumina substituted YSZ electrolyte. From XRD, SEM and TEM observations it was concluded that after high temperature sintering a tetragonal (Mn,Al)3O4 forms at the interface, which during prolonged fuel cell operation forms a cubic (Mn,Al)3O4 phase. This transformation is associated with volume decrease creating voids which ultimately weaken the cathode–electrolyte interface sufficiently for the cathode layer to delaminate off the YSZ–Al2O3 electrolyte. 相似文献
300.
We calculate direct gaugino pair production at hadron colliders at next-to-leading order of perturbative QCD, resumming simultaneously large logarithms in the small transverse-momentum and threshold regions to next-to-leading logarithmic accuracy. Numerical predictions are presented for transverse momentum and invariant mass spectra as well as for total cross sections and compared to results obtained at fixed order and with pure transverse-momentum and threshold resummation. We find that our new results are in general in good agreement with the previous ones, but often even more precise. 相似文献