Molecular crystal structure and magnetic properties of (croconato)- and (oxalato)manganese(II) complexes

Deguenon, Diane; Bérnardinelli, Gerald; Tuchagues, J. P.; Castan, Paule

doi:10.1021/ic00341a035

Cited by 109 publications

(56 citation statements)

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“…H (17) C (1) O (13) O (12) C (5) H (16) O (11) H (20) O (18) H (19) O (6) H (17) H (13) H (14) O (15) O (12) H (16) O ( H (23) O (9) [Cu(…”

Section: S+1=2unclassified

“…Over the past years, the free oxocarbon ions as well as their coordination compounds have been widely studied concerning spectroscopic, 3-8 electromagnetic [9][10][11][12] and nonlinear optical properties. [13][14][15][16] Crystallographic structures of the squarate and croconate complexes with first-row transition metals have been described in the literature 9,[17][18][19][20][21][22] showing molecules with an infinite polymeric chain where the metal ions are surrounded by six oxygen atoms on a distorted octraedron. 17,18,22 The oxocarbon ion is usually chelated through oxygen atoms to one metal ion and singly-coordinated to another metal, leaving two of its five oxygen atoms (in the case of croconate) uncoordinated.…”

Section: Introductionmentioning

confidence: 99%

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Molecular properties of coordination compounds of the croconate ion with first-row sivalent transition metals: a quantum mechanical study

Ferreira¹,

Santos²,

Almeida³

et al. 2007

J. Braz. Chem. Soc.

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The ground state of all complexes was found to be of high spin, in accordance with the experimental proposal. The calculated structures and vibrational frequencies were also in agreement with experiment, even though comparisons were made with the solid state structure. The calculated nonlinear optical (NLO) properties were for all the compounds analyzed, using the Time Dependent Hartree-Fock (TDHF) method within the static approach, suggesting that these transition metal complexes might be considered as lead molecules to the development of novel based-molecular materials.

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“…H (17) C (1) O (13) O (12) C (5) H (16) O (11) H (20) O (18) H (19) O (6) H (17) H (13) H (14) O (15) O (12) H (16) O ( H (23) O (9) [Cu(…”

Section: S+1=2unclassified

Section: Introductionmentioning

confidence: 99%

Molecular properties of coordination compounds of the croconate ion with first-row sivalent transition metals: a quantum mechanical study

Ferreira¹,

Santos²,

Almeida³

et al. 2007

J. Braz. Chem. Soc.

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“…In the presence of croconic acid, 2,2'-bipyridine, and Mn(I1) salt, the complex [Mn(CloHsN2)(C204)], was unexpectedly obtained, and was structurally identified (9). This synthesis requires the oxidation of croconic acid into oxalic acid.…”

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confidence: 99%

A photo-oxidation of croconic acid into oxalic acid

Fabre¹,

Castan²,

Deguenon³

et al. 1995

Can. J. Chem.

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Croconic acid, H2C5O5. is readily oxidized. This may be attested by decolorization of the solutions and by observation of oxalic acid complexes. The oxidation products are identified by I3C NMR spectroscopy as oxalic and mesoxalic acids, and experimental conditions are specified. The oxidation process requires dioxygen and photons. In parallel, the electrochemical oxidation of croconic acid is studied in aqueous media and in acetonitrile. A potential-pH diagram is drawn. 4,5-Dihydroxycyclopentenetrione 1, commonly known as "croconic" acid, H2C505, and the croconate anion [C,O,]~-have received considerable attention from both a theoretical and an experimental point of view (1-6). Croconate, like squarate or rhodizonate ions, is a member of the oxocarbon ring system, [cn0,12-, a new class of aromatic substances with planar structure containing only carbon and oxygen atoms. Both croconic and squaric acids are strong acids in aqueous solution, having pK,, values of 0.80 (7) and 0.54 (8), respectively.During the course of our investigations concerning transition metal complexes of croconic acid we attempted to prepare a manganese croconate complex. In the presence of croconic acid, 2,2'-bipyridine, and Mn(I1) salt, the complex [Mn(CloHsN2)(C204)], was unexpectedly obtained, and was structurally identified (9). This synthesis requires the oxidation of croconic acid into oxalic acid.Oxidation of croconic acid and of other polyketo compounds by molybdenum(V1) in acidic media has already been described by ; a transient 111 complex between Mo(V1) and the ionized acid was shown. 0xalic and mesoxalic acids were identified among the oxida-

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“…For related structures, see: Platel et al (2009) ;Gao & Cui (2008); Deguenon et al (1990). The structure of the isotypic Eu III compound was reported by Yang et al (2005), and that of the Dy III compound by Ye & Lin (2010).…”

Section: Related Literaturementioning

confidence: 90%

“…Oxalate, which usually represent one of the products of the degradation of some organic compounds, is one of the simplest multidentate organic ligands potentially able to bridge metal ions in a bidentate chelating manner (Deguenon et al, 1990). Herein, we report the synthesis and structure of a…”

Section: Methodsmentioning

confidence: 99%

Poly[dimethylammonium [aquadi-μ₂-oxalato-yttriate(III)] trihydrate]

Gan

et al. 2011

Acta Cryst E

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The title complex, {(C 2 H 8 N)[Y(C 2 O 4) 2 (H 2 O)]Á3H 2 O} n , was obtained accidentally under hydrothermal conditions. The Y III atom is chelated by four oxalate ligands and one water molecule resulting in a distorted tricapped trigonal-prismatic geometry. Each oxalate ligand bridges two Y III atoms, thus generating a three-dimensional network with cavities in which the ammonium cations and lattice water molecules reside. Various O-HÁ Á ÁO and N-HÁ Á ÁO hydrogen-bonding interactions stabilize the crystal structure. The title complex is isotypic with the Eu and Dy analogues. Related literature For general background to the rational design and synthesis of metal-organic polymers, see: Lv et al. (2010, 2011). For related structures, see: Platel et al. (2009); Gao & Cui (2008); Deguenon et al. (1990). The structure of the isotypic Eu III compound was reported by Yang et al. (2005), and that of the Dy III compound by Ye & Lin (2010). For decomposition products obtained under hydrothermal conditions, see: Song et al. (2004). Experimental Crystal data (C 2 H 8 N)[Y(C 2 O 4) 2 (H 2 O)]Á3H 2 O M r = 383.11 Monoclinic, P2 1 =c a = 9.6008 (1) Å b = 11.5422 (2) Å c = 14.2886 (2) Å = 122.460 (1) V = 1336.00 (3) Å 3 Z = 4 Mo K radiation = 4.43 mm À1 T = 293 K 0.31 Â 0.20 Â 0.19 mm Data collection Bruker APEXII area-detector diffractometer Absorption correction: multi-scan (SADABS; Sheldrick, 1996) T min = 0.36, T max = 0.43 11935 measured reflections 3040 independent reflections 2384 reflections with I > 2(I) R int = 0.044 Refinement R[F 2 > 2(F 2)] = 0.033 wR(F 2) = 0.082 S = 1.00 3040 reflections 207 parameters 13 restraints Supplementary data and figures for this paper are available from the IUCr electronic archives (Reference: WM2489).

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Molecular crystal structure and magnetic properties of (croconato)- and (oxalato)manganese(II) complexes

Cited by 109 publications

References 6 publications

Molecular properties of coordination compounds of the croconate ion with first-row sivalent transition metals: a quantum mechanical study

Molecular properties of coordination compounds of the croconate ion with first-row sivalent transition metals: a quantum mechanical study

A photo-oxidation of croconic acid into oxalic acid

Poly[dimethylammonium [aquadi-μ₂-oxalato-yttriate(III)] trihydrate]

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Molecular crystal structure and magnetic properties of (croconato)- and (oxalato)manganese(II) complexes

Cited by 109 publications

References 6 publications

Molecular properties of coordination compounds of the croconate ion with first-row sivalent transition metals: a quantum mechanical study

Molecular properties of coordination compounds of the croconate ion with first-row sivalent transition metals: a quantum mechanical study

A photo-oxidation of croconic acid into oxalic acid

Poly[dimethylammonium [aquadi-μ2-oxalato-yttriate(III)] trihydrate]

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Poly[dimethylammonium [aquadi-μ₂-oxalato-yttriate(III)] trihydrate]