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51.
Abachi S Derrick M Kooijman P Musgrave B Price LE Repond J Sugano K Blockus D Brabson B Brom J Jung C Ogren H Rust DR Akerlof C Chapman J Errede D Ken MT Meyer DI Neal H Nitz D Thun R Tschirhart R Baringer P Bylsma BG DeBonte R Koltick D Low EH McIlwain RL Miller DH Ng CR Shibata EI 《Physical review D: Particles and fields》1989,40(3):902-905
52.
Charles Brown R. Harry Cragg Tim J. Miller David O''N. Smith 《Journal of organometallic chemistry》1981,220(3):C25-C26
The application of variable temperature 13C NMR to the study of a series of chlorodialkylaminophenylboranes has enabled G values for the rotational barrier, about the boron---nitrogen bond, to be determined. 相似文献
53.
Miscibility relationships in four-component systems containing sodium alkylbenzenesulfonates, toluene, n-butanol, and water were studied at 25°C in the hope of clarifying the complex systems used in the “micellar flood” enhanced oil recovery process. Phase boundary curves for the pseudo three-component systems (constant sulfonate/water ratios, 2.5 moles sulfonate per kg water) were determined. The sulfonates included those of benzene, toluene, xylene, ethylbenzene, isopropylbenzene, mesitylene, cymene, methyl-t-butylbenzene, and diisopropylbenzene, in all of which the alkyl substituents are smaller than in the usual surfactants. The phase boundary curves have similar and fairly symmetrical shapes. The amount of n-butanol (cosolvent) required to produce miscibility decreases with increasing number of alkyl carbons on the benzene ring of the sulfonates and seems relatively independent of the isomeric structure. The sodium salt of diisopropylbenzenesulfonate gives the lowest phase boundary curve (least n-butanol required for miscibility) among the nine sulfonates studied. 相似文献
54.
55.
Electrodynamic simulations of gold nanoparticle spectra were used to investigate the sensitivity of localized surface plasmon band position to the refractive index, n, of the medium for nanoparticles of various shapes and nanoshells of various structures. Among single-component nanoparticles less than 130 nm in size, sensitivities of dipole resonance positions to bulk refractive index are found to depend only upon the wavelength of the resonance and the dielectric properties of the metal and the medium. Among particle plasmons that peak in the frequency range where the real part of the metal dielectric function varies linearly with wavelength and the imaginary part is small and slowly varying, the sensitivity of the peak wavelength, lambda, to refractive index, n, is found to be a linearly increasing function of lambda, regardless of the structural features of the particle that determine lambda. Quasistatic theory is used to derive an analytical expression for the refractive index sensitivity of small particle plasmon peaks. Through this analysis, the dependence of sensitivity on band position is found to be determined by the wavelength dependence of the real part, epsilon', of the particle dielectric function, and the sensitivity results are found to extend to all particles with resonance conditions of the form, epsilon' = -2chin(2), where chi is a function of geometric parameters and other constants. The sensitivity results observed using accurate computational methods for dipolar plasmon bands of gold nanodisks, nanorods, and hollow nanoshells extend, therefore, to particles of other shapes (such as hexagonal and chopped tetrahedral), composed of other metals, and to higher-order modes. The bulk refractive index sensitivity yielded by the theory serves as an upper bound to sensitivities of nanoparticles on dielectric substrates and sensitivities of nanoparticles to local refractive index changes, such as those associated with biomolecule sensing. 相似文献
56.
Kurt V. Schenker Wolfgang Von Philipsborn C. Anderson Evans Werner Skuballa Georg-Alexander Hoyer 《Helvetica chimica acta》1986,69(7):1718-1727
The configurations of the 5,6-double bond in the carbacyclins iloprost ( 3 ; (E)) and isoiloprost ( 4 ; (Z)) are based on a complete assignment of the 13C and 1H resonances determined by 1D and 2D 13C-NMR and 1H-NMR methods. 相似文献
57.
VNCl2(Pyridine)2; Synthesis, I. R. Spectrum, and Crystal Structure VNCl2(Pyridine)2 is formed from the cyclothiazeno-vanadium(IV) complex [VCl(N3S2)(Pyridine)2]2 · 2 CH2Cl2 in boiling toluene in form of brown-red, hydrolysis sensitive crystal. It was characterized by its I.R. spectrum and an X-ray crystal structure determination. VNCl2(Pyridine)2crystallizes in the orthorhombic space group Pccn with four formula units per unit cell (668 observed independent reflexions, R = 0.055). Lattice constants: a = 1550, b = 924, c = 832 pm. Monomer molecules are situated on twofold rotation axes. They are stacked along the V?N axis to form columns V?N…V. The short VN bond of 160 pm corresponds to a triple bond, whereas the V…N distance of 256 pm indicates a weak interaction. The V? N(Pyridine) and V? Cl bond lengths are 213.0 and 233.5 pm, respectively. 相似文献
58.
Häussermann U Amerioun S Eriksson L Lee CS Miller GJ 《Journal of the American Chemical Society》2002,124(16):4371-4383
This work presents a detailed, combined experimental and theoretical study on the structural stability of s-p bonded compounds with the BaAl4 structure type (space group I4/mmm, Z = 2) as part of a broad program to investigate the complex questions of structure formation and atomic arrangements in polar intermetallics. From ab initio calculations employing pseudopotentials and a plane wave basis set, we extracted optimized structural parameters, binding energies, and the electronic structure of the systems AeX(III)4, AeX(II)2X(IV)2, AeX(II)2X(III)2 (Ae = Ca, Sr, Ba; X(II) = Mg, Zn; X(III) = Al, Ga; X(IV) = Si, Ge). For all systems we found a pronounced pseudo-gap in the density of states separating network X42- bonding from antibonding electronic states that coincides with the Fermi level for an electron count of 14 electrons per formula unit, the optimum value for stable BaAl4-type polar intermetallics. However, the synthesis and structural characterization (from X-ray single crystal and powder diffraction data) of the new compounds AeZn2-Al2+, AeZn2-deltaGa2+delta (Ae = Ca, Sr, Ba; delta = 0-0.2) and AeMg0.9Al3.1, AeMg1.7Ga2.3 (Ae = Sr, Ba) manifested that electron deficiency is rather frequent for BaAl4-type polar intermetallics. The site preference for different "X" elements in the ternary systems was quantified by calculating "coloring energies", which, for some systems, was strongly dependent on the size of the electropositive Ae component. The Ae2+ cations decisively influence the nearest neighbor distances in the encapsulating polyanionic networks X4(2-) and the structures of these networks are surprisingly flexible to the size of the Ae component without changing the overall bonding picture. A monoclinically distorted variant of the BaAl4 structure occurs when the cations become too small for matching the size of encapsulating X4(2-) cages. An even larger size mismatch leads to the formation of the EuIn4 structure type. 相似文献
59.
The variational calculation of Siegert eigenvalues has previously been shown to provide reliable positions and widths for atomic resonances. This approach is herein extended to molecular problems, and the first such calculations for a molecular autoionizing system, He(21,3S)+H→ He+H++e?, are reported. 相似文献
60.
The racemic cis-anti-trans-steroids 9 to 11 have been synthesized in a highly stereoselective manner starting from 4-methoxybenzocyclobutene carboxylic acid via the key step 8 → 9 . (cf. Scheme 2). 相似文献