Spectroscopic properties of Nn-butyltetrachlorophthalimide and supramolecular interactions in its crystals

…, I Wolska, B Brycki, A Zieliński, I Kowalczyk

Index: Borowiak, Teresa; Wolska, Irena; Brycki, Bogumil; Zielinski, Andrzej; Kowalczyk, Iwona Journal of Molecular Structure, 2007 , vol. 833, # 1-3 p. 197 - 202

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Citation Number: 11

Abstract

A number of Nn-alkyltetrachlorophthalimides has been synthesized and Nn- butyltetrachlorophthalimide has been characterized by X-ray diffraction, FT-IR and NMR spectroscopy. Also B3LYP and DFT calculations have been carried out. The optimized bond lengths, bond angles and torsion angles calculated by B3LYP/6-31G (d, p) approach have been compared with the X-ray data. The screening constants for 13C and 1H atoms have ...