Compound 3a

bis(N,N-(4-(2-tert-butyl)phenanthridinyl)(8-quinolinyl)amido)iron(II)

From: Iron(ii) coordination complexes with panchromatic absorption and nanosecond charge-transfer excited state lifetimes

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InChIKey AHLALHXOLDWBSY-UHFFFAOYSA-N

Compound data: 1H NMR

Compound data: 13C{1H} NMR

Compound data: 1H-1H COSY

Compound data: HSQC

Compound data: HMBC

Compound data: Crystallographic data

Synthetic procedure: See article for the definitive version of this procedure and for full experimental details.

Fe(OTf)2 (0.020 g. 0.060 mmol), 2a (0.047 g, 0.12 mmol), NaOtBu (0.010 g, 0.13 mmol) were combined in a 20 mL scintillation vial and dissolved in THF (10 mL). The purple solution was stirred under inert conditions for 72 h over which time the solution turned a deep green. The solvent was removed and the product was washed with pentane (3 x 10 mL), and extracted with toluene. Isolated yield = 0.039 g (78 %). 1H NMR (C6D6, 300 MHz, 25 °C): δ 8.86 (s, 2H, C13-H), 8.63, (d, 2H, JHH = 8.0 Hz, C26-H), 8.54 (s, 2H, C1-H), 8.06 (m, 4H, C3-H, C18-H), 7.73 (s, 2H, C11-H), 7.62 (t, 2H, JHH = 8.0 Hz, C25-H), 6.95 (m, 4H, C4-H, C20-H), 6.72 (d, 2H, JHH = 8.0 Hz, C24-H), 6.63 (t, 2H, JHH = 7.5 Hz, C5-H), 6.43 (d, 2H, JHH = 8.1 Hz, C6-H), 5.85 (dd, 2H, JHH = 8.2, 4.9 Hz, C19-H), 1.68 ppm (s, 18 H, tBu). 13C{1H} NMR (C6D6, 125 MHz, 25 °C): 153.1 (C23), 152.6 (C1), 151.1 (C12), 149.9 (C18), 145.0 (C10), 132.3 (C4), 131.8 (C9), 131.3 (C21 or 22), 128.9 (C20), 128.7 (C25), 126.9 (C5), 126.8 (C6), 125.5 (C2, 7, or 8), 122.1 (C3), 121.7 (C19), 112.8 (C26), 112.6 (C24), 112.1 (C13), 105.8 (C11), 35.8 (C14), 32.2 ppm (C15,16,17); note: 3 peaks are not observed due to solvent overlap (C2, 7, 8, 21, or 22). UV-Vis (CH3CN): λ (ε) 262 (64 890), 319 (sh), 454 (26 030), 596 nm (17 990), 724 (8 510 M-1 cm-1). Anal. Calcd for FeC52H44N6: C, 77.48; H, 5.96. Found: C, 77.28; H, 6.11.

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