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Molecular structures, HOMO and LUMO depictions, and ESP maps of 13–18. While the most negative areas are represented by red, the most positive areas are represented by blue color. ESP is mapped over the range –0.03 a.u (red). to 0.03 a.u (blue). B3LYP/6-31G(d) level of theory was used for DFT calculations.
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| LUMO |
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| ESP |
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