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

DC FieldValueLanguage
dc.contributor.authorXue, DF
dc.contributor.authorBetzler, K
dc.contributor.authorHesse, H
dc.contributor.authorRatajczak, H
dc.date.accessioned2021-12-23T16:21:24Z-
dc.date.available2021-12-23T16:21:24Z-
dc.date.issued2001
dc.identifier.issn02397285
dc.identifier.urihttps://osnascholar.ub.uni-osnabrueck.de/handle/unios/13853-
dc.description.abstractFrom 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.
dc.language.isoen
dc.publisherBULLETIN POLISH ACAD SCI
dc.relation.ispartofBULLETIN OF THE POLISH ACADEMY OF SCIENCES-CHEMISTRY
dc.subjectChemistry
dc.subjectChemistry, Multidisciplinary
dc.subjectCOMPLEX-CRYSTALS
dc.subjectD2O
dc.subjectdielectric properties
dc.subjecthydrogen bond
dc.subjectice
dc.subjectNEUTRON POWDER DIFFRACTION
dc.subjectSUSCEPTIBILITIES
dc.subjecttheoretical analysis
dc.subjectVII
dc.titleTheoretical analysis of chemical bonding behaviors and dielectric properties of different phases of ice
dc.typejournal article
dc.identifier.isiISI:000176691900004
dc.description.volume49
dc.description.issue4
dc.description.startpage289
dc.description.endpage298
dc.contributor.orcid0000-0002-0748-0962
dc.contributor.researcheridE-5881-2011
dc.publisher.placeC/O DR. ANDRZEJ KOSTKOWSKI, PKIN, PO BOX 20, 00-901 WARSAW, POLAND
dcterms.isPartOf.abbreviationBull. Pol. Acad. Sci.-Chem.
crisitem.author.netidBeKl001-
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