Novel Salts of 2,4-Diaminoquinazoline: Searching for Materials for Second Harmonic Generation Based on A Promising Polarizable Cation

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dc.contributor.authorFridrichova, Michaela
dc.contributor.authorNemec, Ivan
dc.contributor.authorCisarova, Ivana
dc.contributor.authorTesarova, Nad'a
dc.contributor.authorNemec, Petr
dc.contributor.authorKarakaş, Aslı
dc.contributor.authorKahraman, Nihal
dc.contributor.authorTaşer, Mehmet
dc.date.accessioned2020-03-26T18:30:56Z
dc.date.available2020-03-26T18:30:56Z
dc.date.issued2012
dc.departmentSelçuk Üniversitesien_US
dc.description.abstractThe chloride and l-tartrate salts of the 2,4-diaminoquinazolinium(1+) were prepared and characterized by both X-ray diffraction and infrared spectroscopy. The potential of the 2,4-diaminoquinazolinium(1+) cation as a building block for materials for nonlinear optics was assessed using quantum mechanical computations. Both 2,4-diaminoquinazolinium(1+) chloride dihydrate (a = 7.2121(1) , b = 8.0105(2) , c = 18.6157(5) , beta = 92.493(1)A degrees, V = 1074.46(4) (3), Z = 4, R = 0.0305 for 4605 observed reflections) and 2,4-diaminoquinazolinium(1+) l-tartrate dihydrate (a = 7.2899(2) , b = 11.9508(2) , c = 13.4183(3) , beta = 92.375(2)A degrees, V = 1168.00(5) (3), Z = 2, R = 0.0367 for 4761 observed reflections) belong to the monoclinic space group P2(1). They are stable, non-hygroscopic, colorless and exhibit non-zero SHG efficiency for powdered samples. Two novel non-centrosymmetric salts of 2,4-diaminoquinazolinium(1+) were prepared and thoroughly characterized during the search for materials for the second harmonic generation.en_US
dc.description.sponsorshipGrant Agency of Charles University in Prague [58608]; Czech Science FoundationGrant Agency of the Czech Republic [203/09/0878]; Ministry of Education of the Czech RepublicMinistry of Education, Youth & Sports - Czech Republic [MSM-0021620857]; Selcuk UniversitySelcuk University [08601258]en_US
dc.description.sponsorshipThis work was supported by the Grant Agency of Charles University in Prague (Grant No. 58608), Czech Science Foundation (Grant No. 203/09/0878), long term Research Plan of the Ministry of Education of the Czech Republic (MSM-0021620857) and by the grant of the Selcuk University (Grant No. 08601258).en_US
dc.identifier.citationFridrichova, M., Nemec, I., Cisarova, I., Tesarova, N., Nemec, P., Karakaş, A., Kahraman, N., Taşer, M., (2012). Novel Salts of 2,4-Diaminoquinazoline: Searching for Materials for Second Harmonic Generation Based on A Promising Polarizable Cation. Journal of Chemical Crystallography, 42(8), 809-815. DOİ 10.1007/s10870-012-0318-5
dc.identifier.doi10.1007/s10870-012-0318-5en_US
dc.identifier.endpage815en_US
dc.identifier.issn1074-1542en_US
dc.identifier.issue8en_US
dc.identifier.scopusqualityQ4en_US
dc.identifier.startpage809en_US
dc.identifier.urihttps://dx.doi.org/10.1007/s10870-012-0318-5
dc.identifier.urihttps://hdl.handle.net/20.500.12395/28261
dc.identifier.volume42en_US
dc.identifier.wosWOS:000306570800005en_US
dc.identifier.wosqualityQ4en_US
dc.indekslendigikaynakWeb of Scienceen_US
dc.indekslendigikaynakScopusen_US
dc.institutionauthorKahraman, Nihal
dc.institutionauthorTaşer, Mehmet
dc.institutionauthorKarakaş, Aslı
dc.language.isoenen_US
dc.publisherSpringer/Plenum Publishersen_US
dc.relation.ispartofJournal of Chemical Crystallographyen_US
dc.relation.publicationcategoryMakale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanıen_US
dc.rightsinfo:eu-repo/semantics/closedAccessen_US
dc.selcuk20240510_oaigen_US
dc.subjectNonlinear opticsen_US
dc.subjectSecond harmonic generationen_US
dc.subjectHyperpolarizabilityen_US
dc.subjectAb initio calculationen_US
dc.subjectNon-centrosymmetric assemblyen_US
dc.subject2,4-diaminoquinazolineen_US
dc.titleNovel Salts of 2,4-Diaminoquinazoline: Searching for Materials for Second Harmonic Generation Based on A Promising Polarizable Cationen_US
dc.typeArticleen_US

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