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41.
The extent of electron quasilocalization in the high density gases is greater in ethane than in methane. However, the density required for quasilocalization in methane is n/nc > 0.1, while that in ethane is n/nc > 0.4, where nc is the critical density. The mobilities in methane and ethane cross at n = 6 × 1021 molecules/cm3, in the respective fluids along their vapor/liquid coexistence curves. 相似文献
42.
We present a generalized Einstein model for calculating thermodynamic properties of small clusters of atoms and demonstrate its validity by comparing its predictions with Burton's exact calculations. The simplicity of the method enables one to easily compute thermodynamic quantities for many systems beyond those previously considered. 相似文献
43.
Chowdhury SR Keizer K ten Elshof JE Blank DH 《Langmuir : the ACS journal of surfaces and colloids》2004,20(11):4548-4552
The transport behavior of toluene and n-hexane in gamma-alumina membranes with different pore diameters was studied. It was shown that the permeability of water-lean hexane and toluene is in agreement with Darcy's law down to membrane pore diameters of 3.5 nm. The presence of molar water fractions of 5-8 x 10(-4) in these solvents led to a permeability decrease of the gamma-alumina layer by a factor of 2-4 depending on pore size. In general, a lower permeability was found for hexane than for toluene. Moreover, in the presence of water a minimum applied pressure of 0.5-1.5 bar was required to induce net liquid flow through the membrane. These phenomena were interpreted in terms of capillary condensation of water in membrane pores with a size below a certain critical diameter. This is thought to lead to substantial blocking of these pores for transport, so that the effective tortuosity of the membrane for transport of hydrophobic solvents increases. 相似文献
44.
Sekulić J ten Elshof JE Blank DH 《Langmuir : the ACS journal of surfaces and colloids》2005,21(2):508-510
Pervaporation experiments were performed on microporous titania membranes using several binary liquids containing 2-20 wt % water. The membrane was nonselective in the separation of water from alcohols and p-dioxane but showed a remarkably high selectivity in the separation of water from ethylene glycol/water mixtures with < or =15 mol % water. The absence of selectivity under most conditions is explained by the large pore size (0.9 nm) of microporous titania. The high selectivity for water in the separation from ethylene glycol can be explained by the formation of a hydrogen-bonded network of ethylene glycol in the micropores, which blocks transport of ethylene glycol, while water can still permeate through. These networks are disrupted by water at higher concentrations, leading to full loss of membrane selectivity. 相似文献
45.
Iodine-mediated cyclization of (Z)- and (E)-{=D}-ribohept-2-enonates and gave exclusively the β-ribofuranose and α-ribofuranose derivatives and , respectively. Cyclization of the (Z)- and (E)-2-heptene-1-ol derivatives and gave ribofuranose products ( and ) and a ribopyranose (), respectively. 相似文献
46.
The chemical ionization and electron impact mass spectra of some thiosulfinates, thiosulfonates and sulfinyl sulfones have been studied. The electron impact mass spectra of four of the six thiosulfonates show molecular ions of less than 1%. Inconclusive evidence was obtained for sulfenyl sulfinate type intermediates in the electron impact spectra of thiosulfonates. The electron impact spectra of thiosulfonates were similar to those of thiosulfonates. The chemical ionization (isobutane) mass spectra of thiosulfinates and thiosulfonates generally show protonated molecular ions [MH]+ as base peaks and [MH+1]+ and [MH+2]+ peaks. 相似文献
47.
Urmila H. Patel Chaitanya G. Dave Mukesh M. Jotani Hetal C. Shah 《Acta Crystallographica. Section C, Structural Chemistry》2002,58(3):o191-o192
The crystal structure of the title compound, C20H18N2O, reveals a distorted half‐chair conformation of the central tetrahydropyridine (THP) ring, with the cyano‐ and adjacent phenyl‐substituted C atoms displaced by 0.329 (1) and ?0.315 (1) Å, respectively, from the THP best plane. Steric interactions force the phenyl rings out of the THP plane by 49.21 (9) and 65.76 (5)°. The cyano moiety is coplanar with the THP plane. 相似文献
48.
Knight JS Petrie SA Freeman CG McEwan MJ McLean AD DeFrees DJ 《Journal of the American Chemical Society》1988,110(16):5286-5290
Reactivities of the structural isomers CCN+ and CNC+ were examined in a selected-ion flow tube at 300 +/- 5 K. The less reactive CNC+ isomer was identified as the product of the reactions of C(+) + HCN and C(+) + C2N2; in these reactions only CNC+ can be produced because of energy constraints. Rate coefficients and branching ratios are reported for the reactions of each isomer with H2, CH4, NH3, H2O, C2H2, HCN, N2, O2, N2O, and CO2. Ab initio calculations are presented for CCN+ and CNC+; a saddle point for the reaction CCN+ --> CNC+ is calculated to be 195 kJ mol-1 above the CNC+. The results provide evidence that the more reactive CCN+ isomer is unlikely to be present in measurable densities in interstellar clouds. 相似文献
49.
A novel potassium carbonate mediated synthesis of 2‐amino‐1,3‐thia/oxa zoles, 2‐amino‐1,3,4‐thia/oxa diazines and 2‐hydrazino‐1,3,4‐thiadiazines has been described here. The use of K2CO3 allows for an aqueous workup thereby eliminating the organic solvent from both the reaction step and post reaction stage, without compromising the yield and reaction time. 相似文献
50.
John J. D'Amico Frederic G. Bellinger John J. Freeman 《Journal of heterocyclic chemistry》1988,25(5):1503-1509
The reaction of the appropriate 2-benzothiazolinone with 2-chloroacetamide under basic conditions afforded the 2-oxo-3(2H)-benzothiazolineacetamides 6–9. The 2-thioxo-3(2H)-benzothiazolineacetamide ( 10 ) was prepared by the reaction of 3-(carbethoxymethyl)benzothiazoline-2-thione with ammonium hydroxide. The reaction of acetamides 6–10 with the appropriate anhydride containing a catalytic amount of the sodium salt of the acid corresponding to the anhydride afforded the titled compounds 11–18 in excellent yields. The omission of the catalyst in the same reaction furnished a mixture containing 57% of the titled compound, 37% of the nitrile and 6% of an unknown. Possible mechanism and supporting nmr, ir and mass spectral data are discussed. 相似文献