Chemistry is the experimental and theoretical study of materials on their properties at both the macroscopic and microscopic levels.In a patent， COA of Formula: C18H18N4, Which mentioned a new discovery about 16858-01-8
In this paper, we describe the synthesis and study of a series of heme/non-heme Fe-O-Fe? complexes supported by a porphyrin and the tripodal nitrogen ligand TMPA [TMPA = tris(2-pyridylmethyl)amine]. The complete synthesis of [(6L)Fe-O-Fe(X)]+ (1) (X = OMe- or Cl-, 69:31 ratio), where 6L is the dianion of 5-(o-O-[(N,N-bis(2-pyridylmethyl)-2-(6-methoxyl)pyridinemethanamine)phenyl]-10, 15,20-tris(2,6-difluorophenyl)porphine, is reported. The crystal structure for 1-PF6 reveals an intramolecular heme/non-heme diferric complex bridged by an Fe-O-Fe? moiety; ?(Fe-O-Fe?) = 166.7(3), and d(Fe…Fe?) = 3.556 A, Crystal data for C70H 57ClF12Fe2N8O3P (1·PF6): triclinic, P1, a = 13.185(3) A, b = 14,590 (3) A, c = 16.885(4) A, alpha = 104.219(4), beta = 91.572(4), gamma = 107.907(4), V = 2977.3(11) A3, Z = 2, T = 150(2) K. Complex 1 (where X = Cl-) is further characterized by UV-vis (lambdamax = 328, 416 (Soret), 569 nm), 1H NMR (delta 27-24 [TMPA-CH2-], 16.1 [pyrrole-H], 15.2-10.5 [PY-3H, PY-5H], 7.9-7.2 [m- and p-phenyl-H], 6.9-5.8 [PY-4H] ppm), resonance Raman (nuas(Fe-O-Fe?) 844 cm-1), and Moessbauer (deltaFe = 0.47, 0.41 mm/s; DeltaEA = 1.59, 0.55 mm/s; 80 K) spectroscopies, MALDI-TOF mass spectrometry (m/z 1202), and SQUID susceptometry (J = – 114,82 cm-1, S = 0). We have also synthesized a series of 3-, 4-, and 5-methyl-substituted as well as selectively deuterated TMPA(Fe?) complexes and condensed these with the hydroxo complex (F8)FeOH or (F8-d8)FeOH to yield “untethered” Fe-O-Fe? analogues. Along with selective deuteration of the methylene hydrogens in TMPA, complete 1H NMR spectroscopic assignments for 1 have been accomplished. The magnetic properties of several of the untethered complexes and a comparison to those of 1 are also presented. Complex 1 and related species represent good structural and spectroscopic models for the heme/non-heme diiron active site in the enzyme nitric oxide reductase.
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Reference：
Metal catalyst and ligand design,
Ligand Template Strategies for Catalyst Encapsulation – NCBI