Electron distribution in water

Citation
Ys. Badyal et al., Electron distribution in water, J CHEM PHYS, 112(21), 2000, pp. 9206-9208
Citations number
13
Categorie Soggetti
Physical Chemistry/Chemical Physics
Journal title
JOURNAL OF CHEMICAL PHYSICS
ISSN journal
00219606 → ACNP
Volume
112
Issue
21
Year of publication
2000
Pages
9206 - 9208
Database
ISI
SICI code
0021-9606(20000601)112:21<9206:EDIW>2.0.ZU;2-9
Abstract
The x-ray structure factor of water measured under ambient conditions with synchrotron radiation is compared with those predicted on the basis of part ial structure factors describing the nuclear positions obtained by neutron diffraction and of different assumptions for the electron distribution. The comparison indicates that a charge of approximately 0.5 e is transferred f rom each hydrogen atom to the oxygen on the same molecule, implying an effe ctive dipole moment of 2.9 D, in good agreement with theoretical estimates. (C) 2000 American Institute of Physics. [S0021- 9606(00)02421-1]