Theoretical calculations of nonlinear optical responses for interpreting nonconjugated molecular systems to affect non-optimal properties

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dc.contributor.authorGüleryüz, Cihat
dc.contributor.authorSumrra, Sajjad H.
dc.contributor.authorMohyuddin, Ayesha
dc.contributor.authorHassan, Abrar U.
dc.contributor.authorDahshan, Alaa
dc.date.accessioned2024-10-23T05:36:16Z
dc.date.available2024-10-23T05:36:16Z
dc.date.issued2024en_US
dc.departmentMeslek Yüksekokulları, Sağlık Hizmetleri Meslek Yüksekokulu, Optisyenlik Programıen_US
dc.description.abstractUnderstanding the intricacies of polymorphic origins in nonconjugated crystal systems is crucial for optimizing their properties. This study focuses on the crystal growth, characterization, and nonlinear optical (NLO) responses of a system analyzed using single crystal X-ray analysis, revealing a monoclinic geometry. Hirschfeld surface analysis emphasized the significance of intermolecular interactions in driving polymorph development, shedding light on the structural nuances influencing the material's properties. Through the evaluation of density functional theory parameters, the research found that the NLO responses of the system were as efficient as those of widely recognized materials like urea and KDP. Moreover, the stability of the system was confirmed through (NBO) analysis, showcasing its potential for practical applications. By manipulating the polymorphic crystal forms, researchers can potentially unveil new crystalline materials with tailored properties suitable for applications in optical and optoelectronic devices. This work underscores the importance of exploring novel crystal engineering strategies to harness the full potential of materials in the realm of advanced technologies.en_US
dc.identifier.citationGüleryüz, C., Sumrra, S. H., Mohyuddin, A., Hassan, A. U., Dahshan, A. (2024). Theoretical calculations of nonlinear optical responses for interpreting nonconjugated molecular systems to affect non-optimal properties. Spectrochimica Acta. Part A, Molecular and Biomolecular Spectroscopy, 326. 10.1016/j.saa.2024.125244en_US
dc.identifier.issn1386-1425
dc.identifier.issn1873-3557
dc.identifier.scopus2-s2.0-85206001808
dc.identifier.scopusqualityN/A
dc.identifier.urihttps://hdl.handle.net/20.500.12939/4936
dc.identifier.volume326en_US
dc.identifier.wosWOS:001335389200001
dc.identifier.wosqualityN/A
dc.indekslendigikaynakWeb of Science
dc.indekslendigikaynakScopus
dc.indekslendigikaynakPubMed
dc.institutionauthorGüleryüz, Cihat
dc.language.isoen
dc.relation.ispartofSpectrochimica Acta. Part A, Molecular and Biomolecular Spectroscopy
dc.relation.isversionof10.1016/j.saa.2024.125244en_US
dc.relation.publicationcategoryMakale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanıen_US
dc.rightsinfo:eu-repo/semantics/closedAccessen_US
dc.subjectDFTen_US
dc.subjectHirschfeld surface analysisen_US
dc.subjectNLOen_US
dc.subjectPolymorphic manipulationen_US
dc.subjectSC-XRDen_US
dc.titleTheoretical calculations of nonlinear optical responses for interpreting nonconjugated molecular systems to affect non-optimal properties
dc.typeArticle

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