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Selected data for 4: 1H NMR (CDCl3, 200 MHz, δ8.12 (bs, 2H, Pery, 7.93 (d, J, 8.0 Hz, lH, Pery, 7.82 (d, J, 8.0 Hz, 1H, Pery, 7.74 (d, J, 8.2 Hz, lH, Pery, 7.71 (d, J, 8.2 Hz, l H, Pery, 7.63-7.56 (m, 2H, Pery, 7.38 (dd, 3J, 5.2 Hz, 4J, 1.2 Hz, 1H, Th, 7.08 (dd, 3J, 3.6 Hz, 3J, 3.4 Hz, lH, Th, 6.80 (dd, 3V, 3.6 Hz, 4J, 1.0 Hz, 1H Th, 6.74 (dd, 3J, 3.6 Hz, 4J, 1.0 Hz, 1H, Th, 6.46 (dd, 3J, 4.0 Hz, 3J, 3.8 Hz, 1H, Th, 6.33-6.31 (m, 1H, Th, 5.11 (m, 1H,-CH-N, 2.19 (m, 2H, CH2, 1.91 (m, 2H, CH2, 1.56 (s, 4H, CH2, 1.36-1.25 (m, 16H, CH2, 0.88 (t, 6H, CH3, 13C-NMR CDC13, 75 MHz, δ 155.96, 153.14, 144.67, 134.38, 132.88, 132.81, 132.63, 131.96, 129.90, 128.55, 126.98. 126.81, 125.47, 125.34, 124.76. 123.73, 122.39, 121.95, 121.95, 121.61, 119.55, 110.80, 105.88, 54.35, 32.39, 31
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3 C, 72.57; H, 5.37; N, 4.98. Found C, 72.33; H, 5.68; N, 4.86.
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HOMO and LUMO energies are derived from the electrochemical data based on the assumption that the Fc/Fc+ redox couple is 5.1 eV relative to vacuum
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+ redox couple is 5.1 eV relative to vacuum.
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