Investigation of NMR shielding tensors in 1,3 dipolar cycloadditions: solvents dielectric effect
Yazarlar (5)
Prof. Dr. Majıd MONAJJEMI Islamic Azad University, Science And Research Branch, İran
E. Rajaeian Islamic Azad University, Arak Branch, İran
Dr. Öğr. Üyesi Fatemeh MOLLAAMIN Islamic Azad University, Qom Branch, İran
F. Naderi
Islamic Azad University, Science And Research Branch, İran
S. Saki Islamic Azad University, Science And Research Branch, İran
Makale Türü Özgün Makale (ESCI dergilerinde yayınlanan tam makale)
Dergi Adı Physics and Chemistry of Liquids
Dergi ISSN 0031-9104 Wos Dergi Scopus Dergi
Makale Dili İngilizce Basım Tarihi 01-2008
Cilt / Sayı / Sayfa 46 / 3 / 299–306 DOI 10.1080/00319100601124369
Makale Linki http://www.scopus.com/inward/record.url?eid=2-s2.0-46749087953&partnerID=MN8TOARS
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
Science Direct
BM Sürdürülebilir Kalkınma Amaçları
Atıf Sayıları
Web of Science 40
Scopus 96
Investigation of NMR shielding tensors in 1,3 dipolar cycloadditions: solvents dielectric effect

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