2-((1H-indol-1-il)(naftalen-1-il)metil)fenol Bileşiğinin Sentezi ve NLO Özelliklerinin Quantum Kimyasal Hesaplamalarla İncelenmesi
نویسندگان
چکیده
Bu çalışmada, 2-((1H-indol-1-il)(naftalen-1-il)metil)fenol bileşiği ilk kez sentezlenmiş olup, yapısal analizi 1H-NMR, 13C-NMR, FT-IR gibi spektroskopik yöntemlerle deneysel ve teorik olarak incelenmiştir. Bileşiğe ait birçok özellik; spektral veriler, bağ uzunluğu, açısı, dihedral açıları, molekül yüzeyi, FMO doğrusal olmayan optik (NLO) özellikleri de araştırılmıştır. Hesaplamalar; HF DFT/B3LYP metotları ile 6-311++G(d,p) temel seti kullanılarak gerçekleştirilmiştir. Elde edilen veriler ışığında, alkilaminofenollerin, medikal uygulamalar haricinde optoelektronik alanda da kullanılabileceği ön görülmüştür
منابع مشابه
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ژورنال
عنوان ژورنال: Caucasian journal of science
سال: 2022
ISSN: ['2148-6840']
DOI: https://doi.org/10.48138/cjo.1205002