Atıf İçin Kopyala
Aydin F., Arslan N. B.
MOLBANK, cilt.2022, sa.1, ss.1316, 2022 (Scopus)
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Yayın Türü:
Makale / Tam Makale
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Cilt numarası:
2022
Sayı:
1
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Basım Tarihi:
2022
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Doi Numarası:
10.3390/m1316
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Dergi Adı:
MOLBANK
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Derginin Tarandığı İndeksler:
Scopus
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Sayfa Sayıları:
ss.1316
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Çanakkale Onsekiz Mart Üniversitesi Adresli:
Evet
Özet
Herein, two title compounds, N-benzoyl-N′-(4′-cyanophenyl)thiourea (1) and N-(4-nitrobenzoyl)-N′-(4′-cyanophenyl)thiourea (2) were synthesized in a high yield, via different applications of aroyl isocyanate and 4-aminobenzonitrile. The structure of the prepared compounds was characterized by elemental analysis and FT-IR, 1H, and 13C-NMR spectroscopic methods. The crystal structure of the title compound 1 was determined by an X-ray single-crystal technique and an intramolecular C=O…H-N hydrogen bond and intermolecular C=S…H-N and C=S…H-C hydrogen interactions, which were observed for the crystal structure. The molecular electrostatic potential (MEP) and the Mulliken atomic charges of title compounds 1 and 2 were theoretically calculated and interpreted. Cyclic voltammetric (CV) experiments for the compounds were performed with the glassy carbon electrode. The reduction in potential values of the different functional groups such as nitro and cyano in title compounds were investigated using CV curves.