Excited state dependent fast switching NLO behavior investigation of sp2 hybridized donor crystal as D-?-A push–pull switches

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dc.contributor.authorGüleryüz, Cihat
dc.contributor.authorSumrra, Sajjad H.
dc.contributor.authorHassan, Abrar U.
dc.contributor.authorNkungli, Nyiang K.
dc.contributor.authorMuhsan, Muhammad S.
dc.contributor.authorAlshehri, Saad M.
dc.date.accessioned2024-03-23T08:33:05Z
dc.date.available2024-03-23T08:33:05Z
dc.date.issued2024en_US
dc.departmentMeslek Yüksekokulları, Sağlık Hizmetleri Meslek Yüksekokulu, Optisyenlik Programıen_US
dc.description.abstractThis research focused on the investigating electronic and optical properties of designed chromophores (TPTP1-TPTP5) to involve their comprehensive analysis, including geometry optimization, UV–Vis spectroscopy, analysis of the transition density matrix (TDM), and exploration of their nonlinear optical (NLO) responses. The chromophore TPTP1 and TPTP2 exhibit significant transitions, making them suitable for optical switching applications. The chromophore TPTP5 stood out with high values for linear polarizability (<α0>, 8.53 × 10-24 esu), first order polarizability β0 (3.86 × 10-24 esu), and second order hyperpolarizability (γ0, 6.41 × 10-24 esu), making it notable for its nonlinear optical response. A positive correlation was observed between their vertical ionization potential (VIP) and the γ0 related NLO response, indicating that higher VIP values correspond to stronger γ0 responses. Their UV–Vis spectroscopy was employed to examine the absorption properties of the chromophores, revealing the wavelengths (λmax) at which they absorbed light and their potential for light harvesting applications. The analysis of the TDM allowed for a deeper understanding of the redistribution of electron density during electronic transitions within the chromophores. This analysis provided valuable insights into the characteristics and nature of their excited states. Additionally, the research investigated the NLO responses of the chromophores, particularly focusing on their third harmonic generation (THG) properties. These NLO properties are crucial for potential applications in optical switches, frequency conversion, and optical signal processing. Overall, the findings from this research contribute to a comprehensive understanding of the electronic and optical properties of the designed chromophores. The obtained results open up new possibilities for their utilization in various technological fields, including light harvesting, photonics, and nonlinear optics.en_US
dc.identifier.citationGüleryüz, C., Sumrra, S. H., Hassan, A. U., Nkungli, N. K., Muhsan, M. S., Alshehri, S. M. (2024). Excited state dependent fast switching NLO behavior investigation of sp2 hybridized donor crystal as D-π-A push–pull switches. Results in Chemistry, 7, 101382. 10.1016/j.rechem.2024.101382en_US
dc.identifier.issn2211-7156
dc.identifier.scopus2-s2.0-85185489419
dc.identifier.scopusqualityQ3
dc.identifier.urihttps://hdl.handle.net/20.500.12939/4632
dc.identifier.volume7en_US
dc.identifier.wosWOS:001188378300001
dc.identifier.wosqualityN/A
dc.indekslendigikaynakWeb of Science
dc.indekslendigikaynakScopus
dc.institutionauthorGüleryüz, Cihat
dc.language.isoen
dc.publisherElsevier B.V.en_US
dc.relation.ispartofResults in Chemistry
dc.relation.isversionof10.1016/j.rechem.2024.101382en_US
dc.relation.publicationcategoryMakale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanıen_US
dc.rightsinfo:eu-repo/semantics/openAccessen_US
dc.subjectDFTen_US
dc.subjectElectronic transitionsen_US
dc.subjectNLOen_US
dc.subjectSp2 hybridizeden_US
dc.subjectUV–Vis spectroscopyen_US
dc.titleExcited state dependent fast switching NLO behavior investigation of sp2 hybridized donor crystal as D-?-A push–pull switches
dc.typeArticle

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