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A salen-type trinuclear Zn2Gd complex.

ABSTRACT: In the trinuclear title complex, di-?-acetato-1:2?(2)O:O';2:3?(2)O:O'-bis-{?-6,6'-dimeth-oxy-2,2'-[cyclo-hexane-1,2-diylbis(methanylyl-idene)]diphenolato}-1:2?(6)O(1),N,N',O(1'):O(6),O(6');2:3?(6)O(6),O(6'):O(1),N,N',O(1')-2-gadolinium(III)-1,3-dizinc hexa-fluor-idophosphate methanol monosolvate monohydrate, [GdZn2(C22H24N2O4)2(CH3COO)2]PF6·CH3OH·H2O, the two Zn(II) ions are located in the inner N2O2 cavities of two 6,6'-dimeth-oxy-2,2'-[cyclo-hexane-1,2-diylbis(methanylyl-idene)]diphenolate (L) ligands. Both Zn(II) ions are five-coordinated by two O atoms and two N atoms from the L ligand and one O atom of an acetic acid mol-ecule, giving rise to a square-pyramidal geometry around the Zn(II) ions. The Gd(III) ion is nine-coordinated by four O atoms from the outer O2O2 sites of one ligand, and three O atoms from another ligand, in which there is one non-coordinating meth-oxy O atom. Two further O atom from different acetate ligands complete the nine-coordinate environment.

SUBMITTER: Tian YM

PROVIDER: S-EPMC3588752 | biostudies-literature | 2012 Dec

REPOSITORIES: biostudies-literature

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A salen-type trinuclear Zn2Gd complex.

Tian Yong-Mei YM Li Hong-Feng HF Han Bing-Lu BL Zhang Qian Q Sun Wen-Bin WB

Acta crystallographica. Section E, Structure reports online 20121117 Pt 12

In the trinuclear title complex, di-μ-acetato-1:2κ(2)O:O';2:3κ(2)O:O'-bis-{μ-6,6'-dimeth-oxy-2,2'-[cyclo-hexane-1,2-diylbis(methanylyl-idene)]diphenolato}-1:2κ(6)O(1),N,N',O(1'):O(6),O(6');2:3κ(6)O(6),O(6'):O(1),N,N',O(1')-2-gadolinium(III)-1,3-dizinc hexa-fluor-idophosphate methanol monosolvate monohydrate, [GdZn2(C22H24N2O4)2(CH3COO)2]PF6·CH3OH·H2O, the two Zn(II) ions are located in the inner N2O2 cavities of two 6,6'-dimeth-oxy-2,2'-[cyclo-hexane-1,2-diylbis(methanylyl-idene)]diphenolate (L) ...[more]

PMID: 23468717

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Project description:Our continuing efforts into developing copper coordination chemistry relevant to dioxygen-processing copper proteins has led us to design and synthesize a cyclotriveratrylene (CTV)-based trinucleating ligand, CTV-TMPA, which employs tetradentate tris(2-pyridylmethyl)-amine chelates (TMPA) for their copper ion binding sites. Binding of three copper ions per CTV-TMPA unit was established by various chemical and spectroscopic methods such as UV-vis and resonance Raman (rR) spectroscopies. The following complexes were observed: A tricopper(I) complex [(CTV-TMPA)Cu(I)(3)](3+) (1), a CO adduct [(CTV-TMPA)Cu(I)(3)(CO)(3)](3+) (1-CO; nu(C=O) = 2094 cm(-1)), a triphenylphosphine adduct [(CTV-TMPA)Cu(I)(3)(PPh(3))(3)](3+) (1-PPh(3)), a tricopper(II) complex [(CTV-TMPA)Cu(II)(3)](3+) (1-Ox), and its tris-monochloride or tris-monobromide adducts. Also, introduction of dioxygen to the -80 degrees C solutions of 1 leads to O(2)-adducts, the first example of a synthetic copper complex which can stabilize a mononuclear Cu(II)-superoxo and dinuclear peroxo species simultaneously within one complex {[Cu] = 1.53 mM in THF: (mu-1,2-peroxo complex, lambda(max) = 543 (epsilon 9650) nm): nu(O-O) = 825 ((Delta(18)O(2)) = -47) cm(-1); nu(Cu-O) = 506 ((Delta(18)O(2)) = -26) cm(-1): (superoxo complex, lambda(max) = 427 (epsilon 3150) nm): nu(O-O) = 1129 ((Delta(18)O(2)) = -60) cm(-1); nu(Cu-O) = 463 ((Delta(18)O(2)) = -27) cm(-1)}. Elemental sulfur reacts reversibly with 1 leading to a (proposed) hexanuclear species [{(CTV-TMPA)Cu(II)(3)}(2)(mu-1,2-S(2)(2-))(3)](6+) (1-S) {lambda(max) = 544 (epsilon 7270) nm}, possessing one dicopper(II)-disulfide structural type: {THF solvent) nu(S-S) = 489 ((Delta(34)S) = -10) cm(-1); nu(Cu-S) = 307 ((Delta(34)S) = -5) cm(-1)}. Derivation of spectroscopic, structural, and chemical conclusions were aided by the study of a close mononuclear analogue with one pyridyl group of the TMPA parent possessing a 6-CH(2)OCH(3) substituent, this being part of the CTV-TMPA architecture.

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A salen-type trinuclear Zn2Gd complex.

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A salen-type trinuclear Zn2Gd complex.

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