Compound [3a]PF6

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

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

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InChIKey ZJOIAYFSHUXKBE-UHFFFAOYSA-N

Compound data: 1H NMR

Compound data: Crystallographic data

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

A 250 mL round-bottom flask was charged with FeCl3·6H2O (52 mg, 0.19 mmol), 2a (150 mg, 0.40 mmol), NaPF6 (33 mg, 0.19 mmol), and NaOtBu (38 mg, 0.40 mmol). MeOH (50 mL) was added and the flask was stirred and refluxed at 100 °C overnight. The flask was then cooled to room temperature and stirred for 1 h where a brown precipitate formed. The mixture was then filtered over Celite and extracted with dichloromethane. The filtrate was concentrated and placed in the freezer overnight. The resulting precipitate was subject to the same treatment. Isolated yield = 0.135 g (73 %). 1H NMR (CDCl3, 300 MHz, 25 °C): δ 30.5 (br), 20.1 (br), 11.2 (s), 10.4 (s), 3.00 (s), -10.0 (br), -30.6 (br), -32.3 (br), -49.3 (br), -54.8 (br), -66.8 (v br), -68.8 ppm (v br). UV-Vis/NIR (CH3CN): λ (ε) 311 (sh), 414, (22 810), 512, (12 430), 1024 nm (4 560 M-1 cm-1). μeff (Evans method) = 1.66 μB. Anal. Calcd for FeC52H44N6PF6: C, 65.48; H, 4.65. Found: C, 65.70; H, 4.79.

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