Substituent effect on inter-ring interaction in paracyclophanes

@article{Majerz2019SubstituentEO,
  title={Substituent effect on inter-ring interaction in paracyclophanes},
  author={Irena Majerz and Teresa M. Dziembowska},
  journal={Molecular Diversity},
  year={2019},
  pages={1-10}
}
AbstractThe theoretical calculations, namely multipole-derived charge analysis, quantum theory of atom in molecules, and non-bonding interaction (NCI), were performed for [2.2]paracyclophanes, [2.2]paracyclophane-7,9-dienes, and [3.3]paracyclophanes optimized at B3LYP/6-311++G** level, including dispersion correction. The substituent effect of the electron donor N(Me)2 and electron acceptor NO2 group and the influence of the length of bridges joining the aromatic ring on aromatic ring… CONTINUE READING
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