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4 results on '"Phosphates -- Spectra"'

1. IR spectra of phosphate ions in aqueous solution: predictions of a DFT/MM approach compared with observations

Author

Klahn, Macro, Mathais, Gerald, Kotting, Carsten, Nonella, Macro, Schlitter, Jurgen, Gerwert, Klaus, and Tavan, Paul

Subjects
Chemistry, Physical and theoretical -- Analysis, Solvation -- Analysis, Condensed matter -- Analysis, Phosphates -- Analysis, Phosphates -- Spectra, Chemicals, plastics and rubber industries
Abstract

The phosphate ions HPO4(super 2-) and H2PO4(super -1) are analyzed since sizable solvation effects are expected for the IR spectra of these strongly polarizable ions. The widths, intensities, and spectral positions of the resultant bands are compared with experimental IR spectra for the purpose of checking the computational procedures, which provide insights into the merits and limitations of the available density functional theory (DFT)/molecular mechanisms (MM) approach to the prediction of IR spectra in the condensed phase.

Published
2004

2. Nitrogen incorporation in an Al(sub 0.5)Ga(sub 0.5)PO(sub 4) amorphous solid Studied with (super 27)Al and (super 31)P NMR

Author

Delsarte, Stephanie, Grange, Paul, Tiehong Chen, Grobet, Piet, and Jacobs, Pierre

Subjects
Absorption spectra -- Usage, Aluminum -- Spectra, Aluminum -- Chemical properties, Phosphates -- Spectra, Phosphates -- Chemical properties, Chemicals, plastics and rubber industries
Abstract

The series of amorphous nitrided galloaluminophosphate 'AlGaPON' catalysts with nitrogen contents varying from 0 to 23.3 wt% were obtained by nitriding Al(sub 0.5)Ga(sub 0.5)PO(sub 4) precursor under ammonia flow at 750 degreeC in a tubular furnace. The results compared by using X-ray absorption spectroscopy (XAS) and X-ray photoelectrons spectroscopy on five samples is described.

Published
2003

3. Are there [pi.sup.*] shape resonances in electron scattering from phosphate groups?

Author

Burrow, Paul D., Gallup, Gordon A., and Modelli, Alberto

Subjects
Electron spectroscopy -- Analysis, Phosphates -- Structure, Phosphates -- Magnetic properties, Phosphates -- Spectra, Resonance -- Analysis, Electrons -- Scattering, Electrons -- Analysis, Chemicals, plastics and rubber industries
Abstract

A combination of the ab initio calculations and electron transmission spectroscopy is employed to determine the presence of [pi.sup.*] shape resonances in the temporary anion states of trimethyl phosphate and other compounds bearing the phosphate group.

Published
2008

4. The dioxanone approach to (2S,3R)-2-C-methylerythritol 4-phosphate and 2,4-cyclodiphosphate, and various MEP analogues

Author

Lagisetti, Chandraiah, Urbansky, Marek, and Caotes, Robert M.

Subjects
Dioxane -- Structure, Dioxane -- Chemical properties, Dioxane -- Spectra, Phosphates -- Structure, Phosphates -- Chemical properties, Phosphates -- Spectra, Phosphorylation -- Analysis, Nuclear magnetic resonance spectroscopy -- Analysis, Biological sciences, Chemistry
Abstract

The syntheses of 2-C-methylerythritol 4-phosphate (MEP), 2,4-cyclodiphosphate and various other MEP analogues by using the dioxanone approach is discussed.

Published
2007

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