Crystal Structure of IN,N'-di(n-propyl)^,4'-bipyridinium] (7,7,8,8-Tetracyano-p-quinodimethanide)J~
نویسنده
چکیده
The 4:1 complex salt formed between 7,7,8,8-tetracyano-p-quinodimethane (TCNQ) and the N,N'-di(n-propyl)-4,4 ' -bipyridinium dication (DPrBP) is monoclinic, space group P21 /c , with a = 1 3 . 3 3 4 ( l ) , b = 25.954(3), c = 7.877(1) A, 0 = 93.66(1)°. The structure was solved by the Patterson method and refined to R = 0.070 for 3277 unique reflections. The T C N Q moieties stack plane-to-plane, in stoichiometric groups of four, with a favourable exocyclic bond to quinonoid ring overlap of adjacent molecules and short interplanar spacings of 3.20 and 3.23 A between T C N Q (A)-TCNQ (A') and T C N Q (A)-TCNQ (B) respectively. TCNQ (A) makes the closet contact to the dication and the charge is partially localised on this molecule.
منابع مشابه
An ionicity diagram for the family of [{Ru2(CF3CO2)4}2(TCNQR(x))] (TCNQR(x) = R-substituted 7,7,8,8-tetracyano-p-quinodimethane).
A diagram of energies between the HOMO of donor (D) and LUMO of acceptor (A) vs.ΔE(1/2)(DA) (= E(1/2)(D) - E(1/2)(A): E(1/2) = first-redox potential) clearly demonstrates the ionicity in the series of D/A assemblies, [{Ru(2)(CF(3)CO(2))(4)}(2)(TCNQR(x))]·n(solv) (TCNQR(x) = 2,5- or 2,3,5,6-R-substituted 7,7,8,8-tetracyano-p-quinodimethane; R(x) = H(4), F(2), Cl(2), Br(2), F(4), Me(2), (OMe)(2)).
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تاریخ انتشار 2013