The dissociation energy of ionic molecules; Selected oxides and fluorides: LiO,LiF, BeO,BeF, MgF,CaF and SrF

The dissociation energies, D₀, of several oxides and fluorides have been computed using a technique that has been shown to yield very accurate D₀ for ionic molecules. The theoretical values are LiO(3.84 eV), LiF(6.09). BeO(4.56). BeF(5.91), MgF(4.67). CaF(5.46), and SrF(5.50). These are in excellent agreement with experiment, except for LiO where our value is about 0.35 eV larger.     

Plasma Copolymerization of Acrylic Acid with Hexamethyldisilazane

Polymerization of acrylic acid with hexamethyldisilazane (HMSZ) was carried out in a mixture by use of pulsed and continuous wave plasmas. The polymer deposition rate and the chemical structures of product films were investigated with regard to the power effects of the plasmas. A copolymer-like structure was formed in general, but the products were not necessarily composed of the simple agglomeration of the polymer components. The power consumed in plasma polymerization influenced the chemical structure, and oxide, in the form of Si—O, was produced more densely in the polymers at higher rather than lower powers. The polymer structure was related to the chemical properties, and the surface wetting was also changed by the power used in the plasma copolymerization. The films were moderately hydrophilic in the polymers produced at lower wattages, but became as hydrophobic as those from HMSZ when prepared at high wattages.     

Arylative Intramolecular Allylation of Ketones with 1,3-Enynes Enabled by Catalytic Alkenyl-to-Allyl 1,4-Rhodium(I) Migration

Alkenyl-to-allyl 1,4-rhodium(I) migration enables the generation of nucleophilic allylrhodium(I) species by remote C−H activation. This new mode of reactivity was employed in the diastereoselective reaction of arylboron reagents with substrates containing a 1,3-enyne tethered to a ketone, to give products containing three contiguous stereocenters. The products can be obtained in high enantioselectivities using a chiral sulfur-alkene ligand.     

A two-sided Arnoldi algorithm with stopping criterion and MIMO selection procedure

In this paper we introduce a two-sided Arnoldi method for the reduction of high order linear systems and we propose useful extensions, first of all a stopping criterion to find a suitable order for the reduced model and secondly, a selection procedure to significantly improve the performance in the multi-input multi-output (MIMO) case. One application is in micro-electro-mechanical systems (MEMS). We consider a thermo-electric micro thruster model, and a comparison between the commonly used Arnoldi algorithm and the two-sided Arnoldi is performed.     

An Efficient Stereoselective Synthesis of (±)-Sweroside and (±)-secologanin aglucone O-methyl ethers. Preliminary communication

A seven-step stereoselective synthesis of (±)-sweroside aglucone O-methyl ether ( 16a ) was achieved in 27% overall yield from 1, 4-cyclohexadiene ( 4 ) and methyl diformylacetate ( 5 ). Secologanin aglucone O-methyl ether ( 18a ) was then formed from 16a in 90% overall yield by a straightforward process. The key step in the synthesis was a [2+2]-enone-photoannelation of 4 and 5 to form the key intermediate 6 which possessed the desired cis-fused ring configuration, and all the caron atoms needed to complete the synthesis of 16a and 18a .     

The importance of valencep functions in the bonding of Na2, K2, and Cu2 and their positive and negative ions

Summary The relative importance of the valencep functions for describing the bonding in the valence isoelectronic Na₂, K₂, and Cu₂ molecules and their positive and negative ions is investigated. In absolute magnitude the contribution of thep functions to the dissociation energy follows the trend Cu>Na>K while by percentage of the dissociation energy the importance of thep functions follows the polarizabilities, i.e. K>Na>Cu. The bonding in K₂, K ₂ ⁺ , and K ₂ ^– is analyzed to explain the observed trends.Dedicated to Prof. Klaus Ruedenberg