Chemistry of a 1,1,1,5,5,5-hexafluoro-2,4-pentanedione on Si(100)-2x1

Article Abstract:

The physisorption, reaction and desorption of 1,1,1,5,5,-hexafluoro-2,4-pentanedione (hfacH) on Si(100)-2 by 1surface are investigated by thermal desorption, infrared (IR) spectroscopy and Auger electron spectroscopy. The analysis has suggested that at a cryogenic temperature of 100 K hfacH adsorbs on a Si(100)-2x1 surface molecularly in its most enolic form and the room temperature adsorption has favored the formation of the most thermodynamically stable adducts and partial decomposition.

Silicon & Inorganic Compounds, Electric properties, Spectra, Infrared spectroscopy, Thermal desorption, Silicon compounds

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Molecular dynamics study of CaCl2 in methanol

Article Abstract:

The effective potential to describe interactions between the calcium ion and methanol molecule is derived from a potential energy surface. The energy surface is constructed from more than 10,000 points obtained from ab initio calculations, performed at the MP2/6-31(d,p) level using Gaussian processes.

Usage, Molecular dynamics, Gaussian processes, Potential energy

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Conductance study of association in aqueous CaCl2, Ca(CH3COO)2, and Ca(CH3COO)2.nCH3COOH from 348 to 523 K at 10 MPa

Article Abstract:

The conductances of aqueous CaCl2, Ca(CH3COO)2, and Ca(CH3COO)2.nCh3COOH are measured from 348 to 523 K at pressures near 10 MPa using a flow conductometric technique. The measurements are made on a wide range of concentrations.

Thermodynamics, Stoichiometry

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