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Conformational analysis, vibrational and NMR spectroscopic study of the methanesulfonamide-N,N′-1,2-ethanediylbis

✍ Scribed by Hamit Alyar; Arslan Ünal; Neslihan Özbek; Saliha Alyar; Nurcan Karacan


Book ID
113880915
Publisher
Elsevier Science
Year
2012
Tongue
English
Weight
615 KB
Volume
91
Category
Article
ISSN
1386-1425

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✍ Mehmet Karabacak; Mehmet Cinar; Mustafa Kurt 📂 Article 📅 2010 🏛 Elsevier Science 🌐 English ⚖ 327 KB

This paper presents a DFT quantum chemical investigation of the molecular conformation, NMR chemical shifts and vibrational transitions of N-(2-methylphenyl)methanesulfonamide and N-(3-methylphenyl)methanesulfonamide (C 8 H 11 NO 2 S) employing B3LYP exchange correlation. The vibrational wavenumbers