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X‐ray diffraction and structure of water
Author(s) -
Bol W.
Publication year - 1968
Publication title -
journal of applied crystallography
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 1.429
H-Index - 162
ISSN - 1600-5767
DOI - 10.1107/s002188986800539x
Subject(s) - hydrogen bond , diffraction , molecule , liquid water , crystallography , hydrogen , work (physics) , chemistry , ice ih , radial distribution function , materials science , physics , thermodynamics , computational chemistry , molecular dynamics , optics , organic chemistry
With the help of X‐ray diffraction, liquid water at 25°C has been studied. The results agree fairly well with previous work, including the work of van Panthaleon van Eck, Mendel & Boog (1957–1962). The radial distribution function obtained is in accordance with an irregular network model, resembling ice I and the high pressure modifications, ice II, ice III, ice V and ice VI. Unlike the situation in the ice structures, in water a fraction of the hydrogen bonds are broken and all hydrogen bonds have approximately the same chance of being broken. Accordingly, each molecule is not surrounded by 4 hydrogen‐bonded neighbours but by a somewhat smaller number, probably 3.2 (on average); moreover, there appear to be 4.6 non‐bonded neighbours at a distance of less than 4 Å from the reference molecule.