Deltafunction model for the helium dimer

The helium dimer ⁴He₂ has recently been detected, confirming earlier ab initio predictions of stability for a single bound state with binding energy of 1.310 mK. The predicted potential minimum is at 2.96 Å, with a radial distribution function peaking at 6.96 Å. We model this system using a Dirac bubble potential, which also admits just one bound j = 0 state. With the bubble located at 6.96 Å, an overlap of 0.9994 with the ab initio wave function is obtained. An average internuclear distance of 52.6 Å is calculated, in good agreement with the ab initio result. The root mean square deviation from the mean, 48.0 Å, indicates an enormous spread of the radial wave function. Also consistent with our model is the absence of bound states for the isotopic variants ³He⁴He and ³He₂. Cross sections for helium-helium scattering are also computed, using both a partial-wave expansion and the Born approximation. General trends in the energy dependence of the total cross section are accounted for, in qualitative agreement with experimental results. © 1995 John Wiley & Sons, Inc.     

Synthesis of an end-capped sexithiophene bearing fused tetrathiafulvalene (TTF) units

[structure: see text] We report the synthesis of a novel end-capped sexithiophene derivative bearing two pendent, fused tetrathiafulvalene (TTF) units linked to the main chain through 1,4-dithiin heterocycles. Cyclic voltammetry and absorption spectroscopy are used to investigate the electronic properties of this hybrid electroactive material. The oligomer has a band gap of 2.1 eV, and the material can be oxidized through the sexithiophene and TTF units simultaneously.     

Monomeric platinum(II) hydroxides supported by sterically dominant α-diimine ligands

The use of two new highly sterically bulky α-diimine ligands for the stabilization of neutral, monomeric platinum(II) hydroxo complexes is described. Halide abstraction from LPtCl(2) complexes of these ligands in the presence of water, followed by deprotonation of the cationic aquo complex, leads to LPt(OH)Cl and LPt(OH)(2). The latter can be reprotonated with HNTf(2) to yield a highly fluxional hydroxoaquoplatinum(II) cation.     

Scattering, accommodation, and trapping of HCl in collisions with a hydroxylated self-assembled monolayer

Time-of-flight molecular beam scattering techniques are used to explore the energy exchange, thermal accommodation, and residence time of HCl in collisions with an OH-terminated self-assembled monolayer. The monolayer, consisting of 16-mercapto-1-hexadecanol (HS(CH(2))(16)OH) self-assembled on gold, provides a well-characterized surface containing hydroxyl groups located at the gas-solid interface. Upon colliding with the hydroxylated surface, the gas-phase HCl is found to follow one of three pathways: direct impulsive scattering, thermal accommodation followed by prompt desorption, and temporary trapping through HO--- HCl hydrogen bond formation. For an incident energy of 85 kJ/mol, the HCl transfers the majority, >80%, of its translational energy to the surface. The extensive energy exchange facilitates thermalization, leading to very large accommodation probabilities on the surface. Under the experimental conditions used in this work, over 75% of the HCl approaches thermal equilibrium with the surface before desorption and, for a 6 kJ/mol HCl beam, nearly 100% of the molecules that recoil from the surface can be described by a thermal distribution at the temperature of the surface. For the molecules that reach thermal equilibrium with the surface prior to desorption, a significant fraction appear to form hydrogen bonds with surface hydroxyl groups. The adsorption energy, determined by measuring the HCl residence time as a function of surface temperature, is 24 +/- 2 kJ/mol.     

An Audiotaped Program for Reduction of High School Students' Math Anxiety

This project was designed to develop and test an audiotaped program for the reduction of math anxiety. A tape was developed that uses systematic desensitization as a treatment technique. The taped program contains muscle relaxation exercises and a hierarchy of math-related activities to be visualized while in the relaxed state. Three hundred thirty-six ninth and tenth grade college-bound math students were given two instruments to measure their level of math anxiety as a pretest. Fifty-three measured high and were invited to participate in the treatment; they were given the same instruments as a posttest. Of the twenty who responded, ten completed the treatment and ten did not participate. Those who participated had significant reductions in math anxiety levels. Those who were not treated had math anxiety levels which remained virtually unchanged.     

Thiazolo [3,2-a] pyridinium salts

The sulfides formed by the reaction of α-halo ketones or α-halo acetals with 2-mercaptopyridine may be cyclized in good yield to form thiazolo[3, 2-a]pyridinium salts. The presence of chloro or nitro substituents on the pyridine ring does not interfere with the synthesis. Nitration of 3-methylthiazolo[3, 2-a]pyridinium perchlorate has been found to occur at position 8.     

New aromatic systems having a fused thiazolium ring

The method developed for the synthesis of thiazolo[3,2-a]pyridinium salts has been extended to the first synthesis of simple thiazolo[3,2-a]pyrimidinium, thiazolo[3,2-a]-pyrazinium and thiazolo[2, 3-b]benzo[d]thiazolium salts. No method could be found for the cyclization of 4′-bromo-2-(2-benzoxazolylthio)acetophenone to the thiazolo[2,3-b]-benzoxazolium system.     

An ab initio study of the structure and torsional modes of the H2SO4 molecule

Ab initio calculations at the STO—3G and 4—31G levels have been carried out for the H₂SO₄ molecule as a function of the pair of twist angles of the HO bonds about the respective OS bonds. Values for the remaining bond angles and lengths were taken from the recent microwave structural determination by Kuczkowski et al. The results indicate a minimum energy for a structure with a (sc, sc) conformation and C₂ symmetry, where sc denotes synclinal, or gauche. This structure corresponds to that observed. At a higher energy of 11.5 kJ mol^?1 (4—31G) there is a structure with a (+sc, ?sc) conformation and C_s symmetry. The torsional modes corresponding to the a and b irreducible representations of the C₂ point group are estimated to have frequencies of 280 and 265 cm^?1, respectively.     

Taylor dispersion measurements at low electrolyte concentrations. I. Tetraalkylammonium perchlorate aqueous solutions

An equipment for the determination of mutual diffusion coefficients using the Taylor's dispersion technique is described. The radius of the capillary was determined with the help of various calibration methods. Diffusion coefficients of aqueous tetraalkylammonium perchlorates, Me₄NClO₄, and Et₄NClO₄, were measured at 25°C in the concentration range 10^–3 to 5×10^–2 mol-dm^–3, and the slightly soluble Pr₄NClO₄ up to 1×10^–2 mol-dm^–3. The slope of linear plots ofD vs. is in agreement with theory, in contrast to the limiting valuesD ₀, which all deviate by about –5% from the Nernst-Hartley values.