Search results for "Alkali metal"

Matrix isolation studies and DFT calculations on molecular alkali metal bromates

2009

DFT and MP2 calculations have been carried out on a series of molecular alkali metal bromates MBrO3 (M = Na, K, Rb, Cs), and the results compared with matrix isolation IR studies on the vaporisation of the solid salts. For M = Na, K or Rb, no ternary molecular species were detected in the low temperature matrix, but vaporisation of solid caesium bromate at 730 K resulted in the formation of molecular CsBrO3, which was identified as having a C3v structure involving tridentate coordination. Additionally, the DFT and MP2 calculations provide estimates of the molecular parameters for all four MBrO3 species, and for the related MXO3 species CsClO3 and CsIO3. The proven stability of MBrO3 molecul…

Alkali-metal induced C,C-bond cleavage, C,H-bond cleavage, andcyclopolimerization in 1,5-hexadienes

1988

Abstract Reaction of the 1,5-dienes 3,4-homotropilidene ( 3 ) and 2,5-diphenylhexa-1,5-diene ( 4 ) with alkali metals induces C,H-bond cleavage (hydride formation) and cyclopolymerization, respectively, in contrast to the C,C-bond cleavage observed in semibullvalene and barbaralane.

SHORT-TERM PROCESSES OF RADIONUCLIDE IMMOBILIZATION IN CEMENT - A CHEMICAL APPROACH

1992

Abstract The ions released in solution by the constituents of cement (principally silicate, aluminate, OH and Ca ions) can combine with the anions and cations from nuclear wastes present in the mixing water to give very insoluble compounds that can fix these ions in the concrete matrix. In order to understand some of the particular physico-chemical processes involved in cement hydration in the presence of analogue elements, tricalcium silicate (C 3 S) was used instead of cement, which is too complex a mixture. It was found that the salt of a chemical analogue, a lanthanide salt, showed some accelerating effects when present in dilute amounts but resulted in large accelerating effects on QS …

Retention of alkali ions by hydrated low-pH cements: Mechanism and Na+/K+ selectivity

2013

Low-pH cements, also referred to as low-alkalinity cements, can be designed by replacing significant amounts of Portland cement by pozzolanic materials. Their pore solution is characterized by a pH near 11, and an alkali concentration much lower than that of Portland cement. This work investigates the retention of sodium and potassium by a hydrated low-pH cement comprising 60% Portland cement and 40% silica fume. It is shown that sorption of potassium is higher than that of sodium and mainly results from counterion charge balancing of the C-S-H negative surface charge. To explain the greater retention of potassium compared to sodium, it is postulated that potassium, unlike sodium, may enter…

ChemInform Abstract: Syntheses, Structures, and Properties of New Quaternary Gold-Chalcogenides: K2Au2Ge2S6, K2Au2Sn2Se6, and Cs2Au2SnS4.

2010

The influence of water and of alkali promotor on the carbon number distribution of fischer-tropsch products formed over iron catalysts

1987

The carbon number distribution of Fischer-Tropsch products formed over an alkalized precipitated iron catalyst has been studied as a function of the water vapor pressure of the synthesis gas. The carbon number distribution of formed hydrocarbons is characterized by a bimodal Schulz-Flory distribution of growth probabilities P1 ≈ 0.6 and P2 ≈ 0.87 attributed to unpromoted and promoted (alkalized) sites on the catalyst surface. Promoted sites are more stable with respect to oxidation (deactivation) by water than unpromoted sites. The growth probability of unpromoted sites decreases with increasing ratio P/P — Studies using Mossbauer spectroscopy have shown that iron foils treated with water c…

NMR studies of benzoannulation in lithium, sodium and potassium ortho-formylphenolates

2010

Abstract Lithium, sodium and potassium derivatives of (benzo)salicylaldehydes have been prepared and characterized by 1 H and 13 C NMR in order to see how the metal cation and benzoannulation affect spectral parameters. There is no qualitative effect of the alkali metal atom in the compounds studied (from this point of view salicylaldehydes remind β-diketones). On the other hand, 1 H chemical shifts of the hydroxyl and formyl protons and 13 C chemical shifts of C2 (bearing OX, X = H, Li, Na or K) and of that the formyl carbon show the most significant variations being the best indicators of aromatic character of the six-membered quasi-ring of salicylaldehyde. In contrast, C1 (bearing formyl…

The structure of pumice: An XPS and27Al MAS NMR study

1992

In order to investigate the surface structure of pumice, an amorphous aluminosilicate, samples of pumice and of standards of silica and alumina have been studied by x-ray photoelectron spectroscopy (XPS). The effect of a mild acid leaching was also considered. The analysis of the Si 2p, Al 2p and O 1s photoelectron peaks and the Si KLL and O KLL Auger peaks indicated that pumice is formed by tetrahedral silica with some units being replaced by aluminate, AlO2−. The acid treatment decreases the alkali and the aluminate ions. X-ray photoelectron spectra of the valence band of pumices and of standards of Al2O3 and SiO2 agree with the core-level results. To support the conclusions from the XPS …

Cooperatively Enhanced Ion Pair Binding with a Hybrid Receptor

2015

A simple 18-crown-6-based bis-urea receptor R(1) was synthesized in three steps from a commercial starting material. The receptor's behavior toward anions, cations, and ion pairs was studied in solution with (1)H NMR, in solid state with single-crystal X-ray diffraction, and in gas phase with mass spectrometry. In 4:1 CDCl3/dimethyl sulfoxide solution the receptor's binding preference of halide anions is I(-) < Br(-) < Cl(-) following the trend of the hydrogen-bonding acceptor ability of the anions. The receptor shows a remarkable positive cooperativity toward halide anions Cl(-), Br(-), and I(-) when complexed with Na(+), K(+), or Rb(+). The solid-state binding modes of R(1) with alkali an…

Theoretical spectroscopic parameters of the alkali monofluorides LiF, NaF and KF

1992

Abstract Multireference configuration interaction and second-order perturbation theory are used to determine accurate spectroscopic parameters for the ground state of the alkali monofluorides from LiF to KF. Systematic saturation of the spdf subspaces of the atomic basis sets for the electron affinity of fluorine and the ionization potential of the metals have been shown to be more efficient than for the approximate dissociation energies in the molecule. the calculated rotational and vibrational constants and transitions for the three systems show excellent agreement with the expeirmental data.