Theoretical analysis of chemical bonding behaviors and dielectric properties of different phases of ice

• Autorzy: Xue D. , Betzler K. , Hesse H. , Ratajczak H.
• Języki publikacji: EN

Abstrakty

EN

From the chemical bond viewpoint, the chemical bond parameters, linear optical properties and geometrical characteristics of constituent chemical bonds (i.e., O-H and H.. .O bonds) in the single-crystalline ice phases I, II, III, VI, VII and VIII have been quantitatively studied. At the same time, the chemical bonding situations of constituent H(D) atoms in different phases of ice have been numerically scaled. The calculated results show that the different lengths and directions of the hydrogen bonding O-H(D).. .O (including two parts: H(D)-O and H(D).. .O bonds) in the different phases of ice cause a large variation in the linear optical properties. Their characteristics found in single-crystalline phases of ice can be used as a guideline for the application of this special kind of functional chemical bond as linkage in materials design.

Słowa kluczowe

EN

ice; hydrogen bond; dielectric properties

PL

lód; wiązanie wodorowe; właściwości dielektryczne

• Wydawca: Centrum Upowszechniania Nauki PAN
• Czasopismo: Bulletin of the Polish Academy of Sciences. Chemistry
• Rocznik: 2001
• Tom: Vol. 49, No. 4
• Strony: 289--298
• Opis fizyczny: Bibliogr. 24 poz.

Twórcy

autor

Xue D.

autor

Betzler K.

autor

Hesse H.

autor

Ratajczak H.

• Single Crystal Group, Advanced Materials Laboratory, National Institute for Materials Science (AMILNIMS), 1-1 Namiki, Tsukuba, Ibaraki 305-0044, Japan, Tel: [phone], ext. 741; fax: [phone],