Relative activity of La2O3, LaOCl3, and LaCl3 in reaction with CCl4 studied with infrared spectroscopy and density functional theory calculations

Article Abstract:

A study was conducted on relative activity of La2O3, LaOCl, and LaCl3 in the destructive adsorption of CCl4 to CO2 with the help of density-functional theory calculations and temperature programmed reaction experiments monitored with IR spectroscopy. Calculations suggest that CCl4 decomposition proceeds through a stepwise Cl donation from CCl4 splitting into a Cl anion and CCl3 cation over an acid-base pair of surface sites.

Chlorine compounds, Chemical properties

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Conformations of N-acetyl-L-prolinamide by two-dimensional infrared spectroscopy

Article Abstract:

The conformations of model dipeptide, N-acetyl-L-prolinamide (AcProNH2) in deuterated chloroform (CDCL3) were studied using femtosecond two-dimensional infrared (2D IR) spectroscopy. The major trans conformation of (AcProNH2) in (CDCL3) determined by the 2D IR measurements, is found to be an intermediate between the C7 and [P.sub.II] form centered at (phi, psi) is approximately equal to (-80 degrees, 100 degrees).

Amides, Properties

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Direct probing of sorbent-solvent interactions for amylose tris(3,5-dimethylphenylcarbamate) using infrared spectroscopy, X-ray diffraction, solid-state NMR, and DFT modeling

Article Abstract:

The sorbent-solvent interactions for amylose tris(3, 5-dimethylphenylcarbamate) (ADMPC) with five commonly used solvents, hexane, methanol, ethanol, 2-propanol (IPA), and acetonitrile (ACN) is studied. The H-bonding states of the polymer change upon absorption of each polar solvent and usually result in an increase in the polymer crystallinity and the side-chain mobility.

Nuclear magnetic resonance spectroscopy, Optical properties, Amylose

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