Chemical bond analysis on second order nonlinear optical properties of Na2SeO4•H2SeO3•H2 O

DC FieldValueLanguage
dc.contributor.authorXue, DF
dc.contributor.authorBetzler, K
dc.contributor.authorHesse, H
dc.contributor.authorRatajczak, H
dc.date.accessioned2024-01-04T10:36:16Z-
dc.date.available2024-01-04T10:36:16Z-
dc.date.issued2002
dc.identifier.issn0239-7285
dc.identifier.urihttp://osnascholar.ub.uni-osnabrueck.de/handle/unios/73239-
dc.description.abstractSecond order nonlinear optical properties of (Na2SeO4H2SeO3H2O)-H-.-H-. crystals with hydrogen bonds have been quantitatively studied from the chemical bond viewpoint. Contributions of all constituent chemical bonds to the total linear and nonlinear optical properties of this crystal at lambda = 0.8716 mum have been determined. The chemical bond method quantitatively expresses those contributions. The current calculation shows that hydrogen bonds play a very important role in contributing to the total linear and nonlinear optical properties of Na2SeO(4)(.)H(2)SeO(3)(.)H(2)O. Our results show that the coordination environments of the hydrogen bonds strongly affect their contributions to the optical response of the host crystal. Therefore, a successful selection of the excellent coordination environment of hydrogen bonds would help us to find good materials suitable for efficient second harmonic generation.
dc.language.isoen
dc.publisherBULLETIN POLISH ACAD SCI
dc.relation.ispartofBULLETIN OF THE POLISH ACADEMY OF SCIENCES-CHEMISTRY
dc.subject2ND-HARMONIC GENERATION
dc.subjectCHARGE CALCULATION
dc.subjectChemistry
dc.subjectChemistry, Multidisciplinary
dc.subjectCRYSTALS
dc.subjecthydrogen bond
dc.subjectNa2SeO4 center dot H2SeO3-H2O
dc.subjectNLO
dc.subjectSHG
dc.subjectSUSCEPTIBILITIES
dc.subjecttheoretical analysis
dc.titleChemical bond analysis on second order nonlinear optical properties of Na<sub>2</sub>SeO<sub>4</sub>•H<sub>2</sub>SeO<sub>3</sub>•H<sub>2</sub> O
dc.typejournal article
dc.identifier.isiISI:000181920000001
dc.description.volume50
dc.description.issue3
dc.description.startpage289
dc.description.endpage297
dc.contributor.orcidhttps://orcid.org/0000-0002-0748-0962
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.
local.import.remainsaffiliations : University Osnabruck; Polish Academy of Sciences; Institute of Low Temperature & Structure Research; University of Wroclaw; Polish Academy of Sciences
local.import.remainsweb-of-science-index : Science Citation Index Expanded (SCI-EXPANDED)
crisitem.author.netidBeKl001-
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