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SSCI Özgün Makale Scopus
Experimental and theoretical research on γ-irradiated 7-methoxy-4-methylcoumarin powder through EPR and DFT methods
Radiation Effects and Defects in Solids 2018 Cilt 173 Sayı 5-6
Scopus Eşleşmesi Bulundu
1
Atıf
173
Cilt
377-387
Sayfa
Scopus Yazarları: Ulku Sayin, Ayhan Özmen, O. Dereli, Ebru Karakaş Sarıkaya, Levent Ateş
Özet
In this paper, the effects of gamma irradiation on 7-Methoxy-4-methylcoumarin (7M4MC) molecule, an essential coumarin derivative, which has an inherent variety of biological activities, therapeutic properties and industrial usage were examined. For this purpose, the sample was irradiated with 60Co-gamma ray source for about 100 kGy total doses. Theoretical calculations were performed using GAUSSIAN03 program for the possible radicals that were modeled from two stable conformations with lowest energies. In order to get well-resolved spectra and to determine the radical identity experimentally, EPR spectra of the irradiated 7M4MC sample were recorded at several spectrometer conditions. By considering the molecular structure and EPR spectra, alkyl-type radical was assumed to be formed by gamma irradiation. To support the estimations, simulations were done using theoretical EPR parameters as an initial value. The experimental spectra were well matched with the sum of simulated spectra obtained from two same type modeled radicals of two different conformations. As a result of experimental estimations and theoretical calculations, radiation-induced radicals were identified as two neutral alkyl radicals, CH2(C9O2H4)OCH3, originated from two stable conformations.
Anahtar Kelimeler (Scopus)
7-methoxy-4-methylcoumarin EPR gamma irradiation molecular structure DFT

Anahtar Kelimeler

7-methoxy-4-methylcoumarin EPR gamma irradiation molecular structure DFT

Makale Bilgileri

Dergi Radiation Effects and Defects in Solids
ISSN 1042-0150
Yıl 2018 / 5. ay
Cilt / Sayı 173 / 5-6
Sayfalar 377 – 387
Makale Türü Özgün Makale
Hakemlik Hakemli
Endeks SSCI
TEŞV Puanı 144,00
Yayın Dili İngilizce
Kapsam Uluslararası
Toplam Yazar 5 kişi
Erişim Türü Elektronik
Erişim Linki Makaleye Git
Alan Fen Bilimleri ve Matematik Temel Alanı- Fizik

YÖKSİS Yazar Kaydı

Yazar Adı KARAKAŞ SARIKAYA EBRU,ATEŞ LEVENT,SAYIN ÜLKÜ,ÖZMEN AYHAN,DERELİ ÖMER
YÖKSİS ID 3392800

Metrikler

Scopus Atıf 1
TEŞV Puanı 144,00
Yazar Sayısı 5