Anharmonic vibrational wave functions, infrared band intensities, and dipole moments of water

A new and simple method to expand the anharmonic vibrational wave functions with respect to the harmonic oscillator wave functions is proposed. The coefficients of the expansion are given as matrix elements of the S function of the contact transformation in the perturbation theory and the explicit expressions of these coefficients are given within the approximation to the second order in λ. As an example of the expansion, the wave functions of water molecules were calculated and applied to the calculation of infrared band intensities and average values of dipole moments in several states.     

Regioselective synthesis of 3-hydroxyisoxazoles and 5-isoxazolones from β-amino α,β-unsaturated esters

The regioselective synthesis of 3-hydroxyisoxazoles and 5-isoxazolones is accomplished by the reaction of β-amino α,β-unsaturated esters with hydroxylamine hydrochloride in the presence of appropriate bases. The total yield of isoxazole derivatives is sensitively influenced on the β-substituent group of the esters.     

An attempt directed toward enhanced shape selectivity in reversed-phase liquid chromatography: preparation of the dodecylaminated beta-cyclodextrin-bonded phase.

With the aim of preparing a stationary phase with a high shape-recognition ability for liquid chromatography, a new bonded phase was synthesized by coupling multiply dodecylamino-substituted beta-cyclodextrin (beta-CD) to 3-glycidoxypropyl-derivatized silica gel. The stationary phase prepared in this way was expected to have increased shape selectivity compared with that of conventional reversed-phase materials, due to solute interactions with the alkyl chain piles built up on the beta-CDs bonded to silica. The separation characteristics of the bonded phase were investigated using polycyclic aromatic hydrocarbons (PAHs) with different molecular shapes and compared with those of monomeric ODS and native beta-cyclodextrin-bonded phases. The newly developed stationary phase was found to be highly selective for PAHs.     

U + U potential in the sudden and adiabatic approximation

A recent approach for calculating both the real and imaginary parts of the ion-ion potential has been modified to produce the ground state properties of separate nuclei. This approach is used to study both the energy and orientation dependence of the optical potential between two U nuclei adopting the sudden and adiabatic approximations.     

Effect of chemical crosslinking on mechanical and electrical properties of ultrahigh-molecular-weight polyethylene-carbon fiber blends prepared by gelation/crystallization from solutions

In an attempt to improve the mechanical property of polyethylene composite at high temperature, crosslinking of ultrahigh-molecular-weight polyethylene (UHMWPE) and carbon fiber (CF) blends was carried out by using dicumyl peroxide (DCP). The specimens were prepared by gelation/crystallization from solutions. The effect of chemical crosslinking on mechanical and electrical properties of UHMWPE/CF blends with composition of 1/0, 1/0.25, and 1/1 (w/w) were investigated in detail. Electrical conductivity and thermal mechanical properties of the blends with the 1/1 composition were greatly improved by incorporation of enough content of CF and adequate crosslinking network formation. Surprisingly, the Young’s modulus of the 1/1 blend reached 20 GPa at room temperature (20 °C). On the other hand, heat treatment at 135 °C played an important role for obtaining a high PTC effect for the UHMWPE-CF blend in which the PTC intensity reached 10⁷.