Yttrium polyoxometalates. Synthesis and characterization of a carbonate-encapsulated sandwich-type complex

Reaction of A-alpha-PW(9)O(34)(9)(-) with YCl(3) in an aqueous Na(2)CO(3) solution produces a dianion-encapsulated A-type sandwich polyoxometalate, (YOH(2))(3)(CO(3))(A-alpha-PW(9)O(34))(2)(11)(-). The X-ray structure of this complex reveals that three Y(III) ions are sandwiched between two A-alpha-PW(9)O(34)(9)(-) moieties and that a carbonate dianion is encapsulated in the same plane as the three Y(III) atoms. The oxygen atoms of the CO(3)(2)(-) are sitting at the midpoints of the sides of the triangle formed by the three Y(III) ions. (31)P and (13)C NMR studies confirm that this complex is significantly more stable than the analogous A-type sandwich polyoxometalates containing divalent metals.     

A new copper acetate-bis(oxazoline)-catalyzed, enantioselective Henry reaction

A highly enantioselective, nitroaldol reaction catalyzed by a chiral Cu(II) bis(oxazoline) complex has been developed. The reaction scope includes both aromatic and aliphatic aldehydes (15 examples) affording products in good yields and enantioselectivities (87-94% ee). An X-ray structure of the catalyst has been provided along with a rationalization of the sense of asymmetric induction.     

Intense terahertz pulses by four-wave rectification in air

We describe a new four-wave rectification method for the generation of intense, ultrafast terahertz (THz) pulses from gases. The fundamental and second-harmonic output of an amplified Ti:sapphire laser is focused to a peak intensity of ~5x10(14)W/cm (2) . Under these conditions, peak THz fields estimated at 2 kV/cm have been observed; the measured power spectrum peaks near 2 THz. Phase-dependent measurements show that this is a coherent process and is sensitive to the relative phases of the fundamental and second-harmonic pulses. Comparable THz signals have been observed from nitrogen and argon as well as from air.     

On the relationship between mergers and economic activity: Evidence from an optimised hybrid method

A new approach is developed to examine potential causality between merger activity and industrial production. The proposed method combines an information criterion-based approach to lag optimisation with joint maximum likelihood estimation of an autoregressive distributed lag model and GARCH(1,1) specification. Application to UK data provides significant evidence in support of causality between merger activity and industrial production, a result which has been predicted theoretically in the literature but has not received empirical support in earlier research.     

Micromechanical models of young's modulus of NR/organoclay nanocomposites

Small strain Young's moduli of natural rubber (NR)/organoclay nanocomposites were estimated using the Guth–Gold, Halpin–Tsai (HT), and Krieger–Dougherty (KD) models, and compared with experimental measurements of NR vulcanizates containing organo‐montmorillonite (OM) or organo‐sepiolite (OS). To account for the effect on modulus of the NR matrix of the vulcanization‐active modifier in the organoclay, a matrix modulus correction (MMC) term was derived from the vulcanization parameters of the nanocomposites. The KD model gave a better empirical fit with the experimental data than the Guth–Gold model, with both giving good agreement with particle shape factors estimated from transmission electron microscope (TEM) images. The HT model gave the best fit with experiment for both types of nanocomposite, and use of the MMC term meant that the empirical shape factor was sufficiently close to that estimated from TEM images that the model could potentially be used to accurately predict the Young's moduli of NR/OM and NR/OS nanocomposites. © 2011 Wiley Periodicals, Inc. J Polym Sci Part B: Polym Phys 49: 1621–1627, 2011     

Doubly-occupied orbital MCSCF methods

A new computational method for a previously suggested Multi-Configuration SCF molecular wave function is developed and applied to some simple molecules. The method involves the use of a single Fock-like hamiltonian matrix for all the MCSCF orbitals and does not involve orthogonality constraints or coupling operators. Application to lithium hydride shows that this method is capable of recovering a large part of the correlation energy and compares very favourably with conventional lengthy CI methods.     

Die Bestimmung von o-Nitrotoluol in Nitrocellulosepulver mittels des Eintauchrefraktometers

Ohne Zusammenfassung     

Middle School Students' Conceptual Learning from the Implementation of a New NSF Supported Curriculum: Interactions in Physical Science™

A new National Science Foundation supported curriculum, Interactions in Physical Science?, was evaluated on students’ conceptual change in the twelve concept areas of the national physical science content standard (B) for grades 5–8. Eighth grade students (N=66) were evaluated pre and post on a 31‐item multiple‐choice test of conceptual understanding developed by the Harvard ‐Smithsonian Center for Astrophysics. Significant student gains (p<. 05, t‐test, two‐tailed) occurred in all concept areas in the category of properties and changes in properties of matter; for the force concept areas in the category motions and forces; and for the heat transfer and light interactions areas in the category of transfer of energy. Two of the six concept areas in the category of transfer of energy, chemical and nuclear reactions and the sun as a major source of energy, were not addressed in this study. Significant learning gains as item percent correct were typically close to 20%, though effect sizes were small to medium in magnitude (d = 0.3–0.6). Implications of the study for conceptual change curriculum and teaching are discussed.     

Minerals,sediments and coals

A survey is presented of some of the recent uses of Mössbauer spectroscopy in studying chemical changes in mineral systems. The changes considered include those occurring naturally, such as weathering, leaching, soil formation, lake and river sedimentation and coal oxidation, and some induced by man, such as chemical leaching, precipitate ageing, coal hydroliquefaction and ash resulting from coal combustion.