X-ray absorption signatures of the molecular environment in water and ice

Details X-ray absorption signatures of the molecular environment in water and ice X-ray absorption signatures of the molecular environment in water and ice

2009-09-21

arxiv.org/abs/0909.3752v1

Physics Review Letters, 105, 017802(2010)

Physics

Condensed Matter

Soft Condensed Matter

5 pages, 3 figures

Scientific paper

The x-ray absorption spectra of water and ice are calculated with a many-body approach for electron-hole excitations. The experimental features, including the small effects of temperature change in the liquid, are quantitatively reproduced from molecular configurations generated by ab-initio molecular dynamics. The spectral difference between the solid and the liquid is due to two major short range order effects. One, due to breaking of hydrogen bonds, enhances the pre-edge intensity in the liquid. The other, due to a non-bonded molecular fraction in the first coordination shell, affects the main spectral edge in the conversion of ice to water. This effect may not involve hydrogen bond breaking as shown by experiment in high-density amorphous ice.

Affiliated with

Also associated with

No associations

Rating

X-ray absorption signatures of the molecular environment in water and ice does not yet have a rating. At this time, there are no reviews or comments for this scientific paper.

If you have personal experience with X-ray absorption signatures of the molecular environment in water and ice, we encourage you to share that experience with our LandOfFree.com community. Your opinion is very important and X-ray absorption signatures of the molecular environment in water and ice will most certainly appreciate the feedback.

Rate now

Comments { 0 }

Profile ID: LFWR-SCP-O-432507