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dc.contributor.advisorÖğretir, Cemil
dc.contributor.authorKon, Umutgül
dc.date.accessioned2020-12-29T12:18:21Z
dc.date.available2020-12-29T12:18:21Z
dc.date.submitted2006
dc.date.issued2018-08-06
dc.identifier.urihttps://acikbilim.yok.gov.tr/handle/20.500.12812/411087
dc.description.abstractÖZETBu çalışmada 1,2,4,- triazol-5-on türevlerinin ve model moleküllerininprotonlanması teorik olarak incelenmiştir. Semiempirik yöntemler ile hesaplananoluşum ısısı, entalpi, entropi ve serbest enerji değerleri kullanılarak protonlanma asitliksabitleri, pKa bulunarak asıl molekül ve proton göçünün hidrojenlerle metillerindeğiştirilmesi ile sağlandığı model moleküller için elde edilen veriler karşılaştırılarakbirinci ve ikinci proton alma mekanizmaları saptanmıştır.
dc.description.abstractSUMMARYThe protonation behaviour of 1,2,4-triazol-5-on derivaties were studiedtheoretically. Heat of formation values, entalphy and entrophy energies as well as thefree energies were calculated by semi-emprical methods. Using the calculatedthermodynamic parameters the acidity constants, pKa values were predicted for themain molecules and for their models in which the proton migration is eliminated byreplacing -H atoms with -Me groups.en_US
dc.languageTurkish
dc.language.isotr
dc.rightsinfo:eu-repo/semantics/openAccess
dc.rightsAttribution 4.0 United Statestr_TR
dc.rights.urihttps://creativecommons.org/licenses/by/4.0/
dc.subjectKimyatr_TR
dc.subjectChemistryen_US
dc.title1,2,4-triazol-5-on türevlerini asit-baz davranışlarının incelenmesi
dc.title.alternativeQuantum chemical studies the protonation behaviour of 1,2,4- triazol-5-on derivatives
dc.typemasterThesis
dc.date.updated2018-08-06
dc.contributor.departmentKimya Anabilim Dalı
dc.identifier.yokid171602
dc.publisher.instituteFen Bilimleri Enstitüsü
dc.publisher.universityESKİŞEHİR OSMANGAZİ ÜNİVERSİTESİ
dc.identifier.thesisid184140
dc.description.pages46
dc.publisher.disciplineDiğer


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