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2-(1-SİKLOHEKZENİL)ETİLAMİNİN 15N NMR VE 1JCH SPİN-SPİN ÇİFTLENİM SABİTLERİNİN İNCELENMESİ

15N NMR AND 1JCH SPIN-SPIN COUPLING CONSTANTS INVESTIGATIONS OF 2-(1-CYCLOHEXENYL)ETHYLAMINE AS EXPERIMENTAL AND THEORETICAL

Journal Name:

  • Sakarya Üniversitesi Fen Bilimleri Enstitüsü Dergisi

Publication Year:

  • 2010

Key Words:

Keywords (Original Language):

Author NameUniversity of AuthorFaculty of Author
Abstract (2. Language): 
The magnitude of one bond 1JCH coupling constants, proton coupled 13C NMR and 15N NMR spectra for 2-(1- Cyclohexenyl)ethylamine (CyHEA) molecule have been reported for the first time. 15N NMR chemical shift and 1JCH coupling constants of CyHEA (C8H15N) have been calculated by means of the Becke-3-Lee-Yang-Parr (B3LYP) density functional method with 6-311++G(d,p) basis set. Comparison between experimental and theoretical results indicates that density functional B3LYP method is in good agreement with the experimental NMR data.
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Abstract (Original Language): 
2-(1-Siklohekzenil)etilamin (CyHEA) molekülünün tek bağ 1JCH çiftlenim sabitlerinin büyüklüğü ve proton çiftlenimli 13C ile 15N NMR spektrumları ilk kez elde edilmiştir. CyHEA (C8H15N) molekülünün 15N NMR kimyasal kayma değeri ve 1JCH çiftlenim sabitleri 6-311++G(d,p) baz seti ile Becke-3-Lee-Yang-Parr (B3LYP) yoğunluk fonksiyonel yöntemi kullanılarak hesaplanmıştır. Deneysel ve teorik sonuçlar arasındaki karşılaştırma B3LYP yoğunluk fonksiyonel metodunun deneysel NMR veriler ile uyum içerisinde olduğunu göstermektedir.
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