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Synthesis of 3: Potassium (0.15 g, 3.91 mmol) was added to a mixture of L (0.50 g, 1.24 mmol) and MgCl2 (0.14 g, 1.26 mmol) in THF, and the suspension was stirred for 3 days. The reaction mixture was filtered, and the filtrate was concentrated to ∼30 mL and stored at ca, 20 °C for several days to yield 3 as pink crystals (0.45 g, 48, 1H NMR (400 MHz, C6D6, δ 1.10 (m, 24H, CH(CH3)2, 1.21 (m, 24H, CH(CH3)2, 1.40 (THF, 1.84 (s, 12H, CCH3, 3.56 (THF, 3.90 (m, 8H, CH(CH 3)2, 6.63 (m, 4H, p-ArH, 6.91 m, 8 H, m-ArH
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2), 6.63 (m, 4H, p-ArH), 6.91 (m, 8 H, m-ArH).
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int = 0.0365), 5708 observed [I > 2δ(I)]; R1 = 0.0633, wR2 = 0.1723.
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int = 0.0365), 5708 observed [I > 2δ(I)]; R1 = 0.0633, wR2 = 0.1723.
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67849126115
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The structure optimization and NBO bonding analysis of the model compound were carried out at the B3LYP level with a DZP, basis set using the Gaussian 03 program full citation in the Supporting Information
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The structure optimization and NBO bonding analysis of the model compound were carried out at the B3LYP level with a DZP++ basis set using the Gaussian 03 program (full citation in the Supporting Information).
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