Molecular structure calculations of monomeric and dimeric of rare earth chlorides

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dc.contributor.authorDalgic, S.
dc.contributor.authorCaliskan, M.
dc.date.accessioned2024-06-12T11:17:28Z
dc.date.available2024-06-12T11:17:28Z
dc.date.issued2009
dc.departmentTrakya Üniversitesien_US
dc.description.abstractIn this work, the molecular geometries and vibrational frequencies of selected rare-earth trichlorides (YCl3, CeCl3, DyCl3) and their dimerics were computed using the interionic force model. In order to the determine of the model parameters, we have fitted the measurement value of the breathing mode of molecular dimerics in molecular structure calculations. It has been indicated that the ground state structures of monomeric rare-earth thrichlorides have D-3h symmetry and their dimerics have D-2h symmetry. The results for the equilibrium bond lengths, bond angles and vibrational frequencies are compared with the measured values obtained from electron diffraction and with the results of other theoretical calculations. The agreement can be considered as very reasonable.en_US
dc.identifier.endpage624en_US
dc.identifier.issn1454-4164
dc.identifier.issn1841-7132
dc.identifier.issue5en_US
dc.identifier.scopus2-s2.0-76049103375en_US
dc.identifier.scopusqualityQ4en_US
dc.identifier.startpage618en_US
dc.identifier.urihttps://hdl.handle.net/20.500.14551/24709
dc.identifier.volume11en_US
dc.identifier.wosWOS:000267212600013en_US
dc.identifier.wosqualityQ4en_US
dc.indekslendigikaynakWeb of Scienceen_US
dc.indekslendigikaynakScopusen_US
dc.language.isoenen_US
dc.publisherNatl Inst Optoelectronicsen_US
dc.relation.ispartofJournal Of Optoelectronics And Advanced Materialsen_US
dc.relation.publicationcategoryMakale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanıen_US
dc.rightsinfo:eu-repo/semantics/closedAccessen_US
dc.subjectYttriumen_US
dc.subjectCerium And Dysprosium Trichloridesen_US
dc.subjectInterionic Force Modelen_US
dc.subjectVibrational Frequenciesen_US
dc.subjectLanthanide Trihalidesen_US
dc.subjectEquilibrium Structureen_US
dc.subjectElectron-Diffractionen_US
dc.subjectMetal-Halidesen_US
dc.subjectModelen_US
dc.subjectVibrationsen_US
dc.subjectAluminumen_US
dc.titleMolecular structure calculations of monomeric and dimeric of rare earth chloridesen_US
dc.typeArticleen_US

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