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Titolo:
Hydrogen bonding interactions in phase A [Mg7Si2O8(OH)(6)] at ambient and high pressure
Autore:
Kagi, H; Parise, JB; Cho, H; Rossman, GR; Loveday, JS;
Indirizzi:
Univ Tokyo, Grad Sch Sci, Earthquake Chem Lab, Tokyo 1130033, Japan Univ Tokyo Tokyo Japan 1130033 Earthquake Chem Lab, Tokyo 1130033, Japan SUNY Stony Brook, Dept Geosci, Ctr High Pressure Res, NSF Funded Sci & Technol Ctr, Stony Brook, NY 11794 USA SUNY Stony Brook Stony Brook NY USA 11794 Ctr, Stony Brook, NY 11794 USA Battelle Mem Inst, Pacific NW Labs, Environm Mol Sci Lab, Richland, WA 99352 USA Battelle Mem Inst Richland WA USA 99352 l Sci Lab, Richland, WA 99352 USA CALTECH, Dept Geol & Planetary Sci, Pasadena, CA 91125 USA CALTECH Pasadena CA USA 91125 eol & Planetary Sci, Pasadena, CA 91125 USA Univ Edinburgh, Dept Phys & Astron, Edinburgh EH9 3JZ, Midlothian, Scotland Univ Edinburgh Edinburgh Midlothian Scotland EH9 3JZ Midlothian, Scotland
Titolo Testata:
PHYSICS AND CHEMISTRY OF MINERALS
fascicolo: 4, volume: 27, anno: 2000,
pagine: 225 - 233
SICI:
0342-1791(200003)27:4<225:HBIIPA>2.0.ZU;2-C
Fonte:
ISI
Lingua:
ENG
Soggetto:
NEUTRON POWDER DIFFRACTION; CHEMICAL-SHIFT TENSORS; MULTIPLE PULSE NMR; SYSTEM MGO-SIO2-H2O; MAGNETIC-RESONANCE; CRYSTAL-STRUCTURE; INFRARED-SPECTRA; SOLIDS; SPECTROSCOPY; SILICATES;
Keywords:
hydrogen bonding; neutron diffraction; dense hydrous magnesium silicate (DHMS); crystal structure; high pressure;
Tipo documento:
Article
Natura:
Periodico
Settore Disciplinare:
Physical, Chemical & Earth Sciences
Citazioni:
52
Recensione:
Indirizzi per estratti:
Indirizzo: Kagi, H Univ Tokyo, Grad Sch Sci, Earthquake Chem Lab, Tokyo 1130033, Japan Univ Tokyo Tokyo Japan 1130033 ke Chem Lab, Tokyo 1130033, Japan
Citazione:
H. Kagi et al., "Hydrogen bonding interactions in phase A [Mg7Si2O8(OH)(6)] at ambient and high pressure", PHYS CHEM M, 27(4), 2000, pp. 225-233

Abstract

Neutron powder diffraction data of phase A (Mg7Si2O8(OH)(6)) were collected at ambient pressure and 3.2 GPa (calculated from the compressibility of phase A) from the deuterated compound, and the structure was refined using the Rietveld method. The derived crystal structure implies that hydrogen atoms occupy two distinct sites in phase A, both forming hydrogen bonds of different lengths with the same oxygen atom. This picture is supported by IR spectra, which exhibit two absorption bands at 3400 and 3513 cm(-1) corresponding to OH stretching vibrations, and proton NMR spectra, which display two peaks with equal intensities and isotropic chemical shifts of 3.7 and 5 ppm. The D-D distance [D(1)-D(2) distance] at ambient pressure was found to be 2.09 +/- 0.02 Angstrom from the neutron diffraction data and 2.09 +/- 0.05 Angstrom from the NMR spectra. At 3.2 GPa, there is no statistically significant increase in the O-D interatomic distance while the hydrogen bonding interaction D ... O appears to increase for one of the hydrogen sites, D(1), which has the stronger hydrogen bonding interaction compared with the other hydrogen, D(2), at ambient pressure. The O-D bond valences, determinedindirectly from the D ... O distances were 0.86 and 0.91 at ambient pressure, and 0.83 and 0.90 at 3.2 GPa, for D(1) and D(2), respectively.

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Documento generato il 14/07/20 alle ore 19:16:37