In quest of strong neutral organic bases and superbases—supramolecular systems containing four pyridine subunits |
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| Authors: | Borislav Kova?evi? Zvonimir B. Maksi? |
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| Affiliation: | a Quantum Chemistry Group, Division of Organic Chemistry and Biochemistry, Ru?er Boškovi? Institute, Bijeni?ka c. 54, 10000 Zagreb-HR, Croatia
b Department of Physical Chemistry, Faculty of Science and Mathematics, The University of Zagreb, Horvatovac 102a, 10000 Zagreb-HR, Croatia |
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| Abstract: | It is shown by a reliable DFT method that supramolecular structures 1 and 2, constructed using pyridine as an essential building block, act as powerful neutral organic superbases in the gas phase and in acetonitrile due to cationic resonance and hydrogen bonding in the conjugate acids amplified by the NMe2 groups placed at strategic positions on the molecular backbone. |
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