img
Investigation of NMR shielding tensors in 1,3 dipolar cycloadditions: Solvents dielectric effect      
Yazarlar
Dr. Öğr. Üyesi Fatemeh MOLLAAMIN Dr. Öğr. Üyesi Fatemeh MOLLAAMIN
Kastamonu Üniversitesi, Türkiye
Özet
In this article, NMR shielding is investigated in the reactions of 1,3 dipolar cycloaddition of benzonitrile oxide with acrylonitrile, which have been recently studied [E. Rajaeian, M. Monajjem, Cholami, J. Chem. Res., s, 279, (2002); E. Rajaeian, M. Monajjem, Cholami, J. Chem. Res., s, 91, (2003)]. We reported 15N and 17O tensors for benzonitrile oxide and two products in reactions in gas phase and several various solvents and compared the effect of dielectric constant on tensors of the materials mentioned above. Also diffuse and polarizable function effects in basis set are investigated.
Anahtar Kelimeler
1,3 Dipolar cycloaddition | Chemical shielding tensor | NMR
Makale Türü Özgün Makale
Makale Alt Türü SCOPUS dergilerinde yayımlanan tam makale
Dergi Adı Physics and Chemistry of Liquids
Dergi ISSN 0031-9104
Dergi Tarandığı Indeksler SCI-Expanded
Makale Dili İngilizce
Basım Tarihi 06-2008
Cilt No 46
Sayı 3
Sayfalar 299 / 306
Doi Numarası 10.1080/00319100601124369
Makale Linki http://dx.doi.org/10.1080/00319100601124369