3,4‐[2,2‐Bis(methoxyethoxymethoxymethyl)propylenedithio]‐3′,4′‐(ethylenedithio)tetrathiafulvalene: a spiro‐substituted BEDT–TTF analogue

The crystal structure of the title compound [systematic name: 2‐(1,3‐dithiolo[4,5‐b][1,4]dithiin‐2‐ylidene)‐6,6‐bis(methoxyethoxymethoxymethyl)‐1,3‐dithiolo[4,5‐b][1,4]dithiepine], C₂₁H₃₀O₆S₈, a spiro‐substituted BEDT–TTF analogue [BEDT–TTF is bis(ethylenedithio)tetrathiafulvalene], has a strongly bent heterocyclic framework. The seven‐membered ring adopts a pseudo‐chair conformation with notably widened ring bond angles, especially at the methylene C atoms [119.49 (11) and 117.60 (11)°]. The axial side chain adopts an extended conformation, but the equatorial side chain curls back on itself and the O atom nearest the ring system is involved in three short contacts to H atoms (2.45–2.53 Å). The molecules pack in centrosymmetrically related pairs, which are isolated from each other by columns of the polyether side chains. This study emphasizes the ease of distortion of the neutral bis(propylenedithio)tetrathiafulvalene ring structure, and how the need to accommodate side chains can easily override the tendency of these donor systems to form stacks in the crystalline state.     

Single change covering designs

A single-change covering designSC (v, k, b) on av-setV is a sequence ofb k-sets (blocks) onV which together cover every pair of elements ofV at least once, such that two successive blocks havek–1 elements in common. It is desirable to minimizeb. Some constructions and lower bounds forb are given.     

Zur thermischen Entwässerung von K2AlF5 · H2O

On the Thermal Dehydration of K₂AlF₅ · H₂O The thermal dehydration of K₂AlF₅ · H₂O was investigated by X-ray diffraction and thermal analysis. Two dehydrat phases were detected. K₂AlF₅ (II) is orthorhombic (a = 758 pm, b = 1257 pm, c = 1044 pm) and isotypical with α-(NH₄)₂FeF₅ (cis-connected chains). The tetragonal phase is formed by a topotactic mechanism. This phase is instable and tends to rehydrate or to transform into the more stable orthorhombic phase. The irreversible transformation from I into II is connected with an exothermal DTA effect.     

The variation method and the algebraic eigenvalue problem

The generalized algebraic eigenvalue problem ( A ? λ B )x = 0 arises in the use of the variation method in quantum mechanics. If, within the limitations of the computer word-length, the basis set used to expand the trial wave function is linearly dependent, the matrix B becomes singular. Three different algorithms designed to deal with this difficulty have been investigated, paying special attention to the problem of identifying which members of the basis set are effectively linearly dependent. The advantages and limitations of each method are discussed.     

Electronic density oscillations in gold atomic chains assembled atom by atom

Linear Au chains two to 20 atoms long were constructed on a NiAl(110) surface via the manipulation of single atoms with a scanning tunneling microscope. Differential conductance (dI/dV) images of these chains reveal one-dimensional electronic density oscillations at energies 1.0 to 2.5 eV above the Fermi energy. The origin of this delocalized electronic structure is traced to the existence of an electronic resonance measured on single, isolated Au atoms. Variations in the wavelength in dI/dV images of an eleven-atom chain taken at different energies revealed an effective electronic mass of 0.4+/-0.1 times the mass of a free-electron.     

On the Momentum,Mass and Energy Transport for Transverse Wave Packets in Warm Plasmas,with Applications to Solitons

The energy-mass equation has been formulated for transverse wave packets of an arbitrary form propagating in warm plasmas and then it has been applied to solitons. In contradistinction to a soliton mass given by Klein [7], the mass defined here cannot be chosen arbitrarily.     

Studies of Ziegler-type catalysts for the polymerization of ethylene and propylene II The polymerization of ethylene with VOCl3-Et3Al2Cl3 (chlorinated activator) catalysts

VOCl₃-Et₃Al₂C1₃(chlorinated activator) catalysts have been employed for the polymerization of ethylene at T between 15 and 85° in n-hexane. Using butylperchlorocrotonate as the activator, the following catalyst efficiencies (g polymerization, hr, atmosphere ethylene in the cap gas) were achieved: 10^6,1 MFI = 0-00; 10^5,8, e.g. MFI = 1 0 (with 9 per cent H₂ present in the cap gas) and 10^6–9 MFI = 0?4 (with 44 mmole/1 styrene in the hexane medium). Reactions between the aluminium alkyl and the activator molecules produced other chlorinated species of high average activator effectiveness. The catalyst system could be reactivated by further additions of Et₃Al₂Cl₃. The minimum value of the polymerization propagation rate constant is estimated to be 10¹²²?6x10,461 cm³/mole sec.