The Crystal Structure of 2,2'-Bipyridinium(1+) mu-Hydrogen-bis[(2,2'-bipyridine)oxodiperoxovanadate](1-)-x-hydrogen peroxide-(6-x)-water, (Hbipy)[H{VO(O2)2bipy}2].xH2O2.(6-x)H2O, x ~= 0.5, at -100 degrees C.

Szentivanyi, Helga; Stomberg, Rolf; Hämäläinen, Reijo; Kohl, Franz X.; Seip, Ragnhild

doi:10.3891/acta.chem.scand.38a-0101

Cited by 29 publications

(15 citation statements)

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Section: Resultsmentioning

confidence: 99%

“…One must be conscious, though, that coordinated peroxides may alternatively come from ap eroxide salt, an organic peroxide or hydrogen peroxide in the reactionm edium. Structurale videncei so ffered, for instance, by the presence of coordinated hydrogen peroxide [114] or hydroperoxide( HO 2 À ), [115][116] or by the existence of H 2 O 2 solvation molecules. [115][116][117][118][119][120][121][122][123][124][125][126] No attempth as been made to tell coordinated O 2 groupso riginated from dioxygen gas or from other sources For the joint discussion of the results in Tables 3-5, the molecular speciesc onsidered have been classifiedi n1 6f amilies.…”

Section: Gasesmentioning

confidence: 99%

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Coordinating Ability of Anions, Solvents, Amino Acids, and Gases towards Alkaline and Alkaline‐Earth Elements, Transition Metals, and Lanthanides

Álvarez

2020

Chemistry A European J

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After briefly reviewing the applications of the coordination ability indices proposed earlier for anions and solvents toward transition metals and lanthanides, a new analysis of crystal structures is applied now to a much larger number of coordinating species: anions (including those that are present in ionic solvents), solvents, amino acids, gases, and a sample of neutral ligands. The coordinating ability towards s‐block elements is now also considered. The effect of several factors on the coordinating ability will be discussed: (a) the charge of an anion, (b) the chelating nature of anions and solvents, (c) the degree of protonation of oxo‐anions, carboxylates and amino carboxylates, and (d) the substitution of hydrogen atoms by methyl groups in NH3, ethylenediamine, benzene, ethylene, pyridine and aldehydes. Hit parades of solvents and anions most commonly used in the areas of transition metal, s‐block and lanthanide chemistry are deduced from the statistics of their presence in crystal structures.

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Section: Resultsmentioning

confidence: 99%

Section: Gasesmentioning

confidence: 99%

Coordinating Ability of Anions, Solvents, Amino Acids, and Gases towards Alkaline and Alkaline‐Earth Elements, Transition Metals, and Lanthanides

Álvarez

2020

Chemistry A European J

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“…The V−N bond length in the equatorial plane in 4 (V1−N3 = 2.079(4) Å) is slightly shorter than the bond in 5 (V1−N1 = 2.092(2) Å). The vanadium atom is raised approximately 0.5 Å above the basal pentagon in 5 and (NH 4 )[VO(O 2 ) 2 NH 3 ] 59 compared to a displacement toward to the oxo ligand of 0.3 Å in typical seven-coordinate diperoxo complexes. , The four hydroxylamido complexes ( 1 − 4 ) all have displacements similar to the seven-coordinate peroxovanadium complexes.…”

Section: Resultsmentioning

confidence: 99%

Vanadium(V) Hydroxylamido Complexes: Solid State and Solution Properties¹

et al. 1997

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A novel series of vanadium(V) hydroxylamido complexes with weak ligands including glycine, [VO(NH2O)2(Glycine)]·H2O (1); serine, [VO(NH2O)2(Serine)]·H2O (2); glycylglycine, [VO(NH2O)2(GlyGly)]·H2O (3); and imidazole, [VO(NH2O)2(imidazole)2]Cl (4) were prepared and characterized both in solution and in the solid state. All complexes were prepared in aqueous solution at neutral pH at ambient temperature and as crystalline solids. The vanadium atom in these four complexes is seven-coordinate with pentagonal bipyramidal geometry. In complexes 1 − 3 the hydroxylamido groups are coordinated side-on with the hydroxylamido nitrogen cis to the organic ligand in the equatorial plane. In complex 4, the hydroxylamido groups are coordinated side-on with the hydroxylamido nitrogen trans to the imidazole ligand in the equatorial plane. The UV/vis spectra of these complexes were also examined, and the absorbance peaks show similarities between the properties of the vanadium(V) hydroxylamido complexes and known side-on peroxovanadium complexes. Multinuclear NMR studies were conducted to characterize the solution structure and properties of compounds 1 − 4. A particularly detailed study of compound 4 was carried out since the analogous vanadium(V) peroxo complex could also be prepared. Complex 4 was less labile and more stable than the corresponding diperoxovanadium(V)−imidazole complex, H[VO(O2)2(imidazole)] (5). In solution the inherent asymmetry of the hydroxylamido ligand has facilitated an in-depth study of ligand exchange. Upon dissolution, compound 4 forms three isomeric complexes, all of which have one of the original two-coordinated imidazole groups in the complex dissociated. 1D and 2D EXSY and multinuclear NMR spectroscopies were used to examine the stoichiometry of the isomers, their structures, and the dynamics of their ligand exchanges. Specifically, both inter- and intramolecular exchanges were observed for the dihydroxylamine−vanadium(V)−imidazole involving both the coordinated imidazole and the coordinated hydroxylamido groups. The intramolecular exchange of the coordinated imidazole in 5 was compared to the exchange in the hydroxylamido complex, and the hydroxylamido compounds were found to have some properties that may be advantageous over those of the diperoxovanadium(V) complexes. In summary, evidence was generated to support the existence of a novel and unprecedented asymmetric hydroxylamido−metal complex as well as the first isolation and characterization of a vanadium(V)−imidazole complex not enjoying stabilization by other organic ligands.

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“…The latter include the commercially demanded sodium peroxocarbonate synthesized by Tanatar [1]. This class of compounds should include peroxosolvates of complex anions, which can formally be attributed to the salts of the corresponding complex acids, for example, peroxovanadates [49][50][51][52][53][54][55][56], peroxoniobates [57][58][59], peroxotantalates [60], uranyl peroxo complexes [61], peroxotellurates [62], and platinum complexes [63][64][65]. Peroxosolvates of metal peroxides [66][67][68][69] can formally belong to the specified class of peroxosolvates of salts of inorganic acids if hydrogen peroxide is considered as a diacid.…”

Section: Chemical Composition Of Crystalline Peroxosolvatesmentioning

confidence: 99%

Crystalline Peroxosolvates: Nature of the Coformer, Hydrogen-Bonded Networks and Clusters, Intermolecular Interactions

et al. 2020

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Despite the technological importance of urea perhydrate (percarbamide) and sodium percarbonate, and the growing technological attention to solid forms of peroxide, fewer than 45 peroxosolvates were known by 2000. However, recent advances in X-ray diffractometers more than tripled the number of structurally characterized peroxosolvates over the last 20 years, and even more so, allowed energetic interpretation and gleaning deeper insight into peroxosolvate stability. To date, 134 crystalline peroxosolvates have been structurally resolved providing sufficient insight to justify a first review article on the subject. In the first chapter of the review, a comprehensive analysis of the structural databases is carried out revealing the nature of the co-former in crystalline peroxosolvates. In the majority of cases, the coformers can be classified into three groups: (1) salts of inorganic and carboxylic acids; (2) amino acids, peptides, and related zwitterions; and (3) molecular compounds with a lone electron pair on nitrogen and/or oxygen atoms. The second chapter of the review is devoted to H-bonding in peroxosolvates. The database search and energy statistics revealed the importance of intermolecular hydrogen bonds (H-bonds) which play a structure-directing role in the considered crystals. H2O2 always forms two H-bonds as a proton donor, the energy of which is higher than the energy of analogous H-bonds existing in isostructural crystalline hydrates. This phenomenon is due to the higher acidity of H2O2 compared to water and the conformational mobility of H2O2. The dihedral angle H-O-O-H varies from 20 to 180° in crystalline peroxosolvates. As a result, infinite H-bonded 1D chain clusters are formed, consisting of H2O2 molecules, H2O2 and water molecules, and H2O2 and halogen anions. H2O2 can form up to four H-bonds as a proton acceptor. The third chapter of the review is devoted to energetic computations and in particular density functional theory with periodic boundary conditions. The approaches are considered in detail, allowing one to obtain the H-bond energies in crystals. DFT computations provide deeper insight into the stability of peroxosolvates and explain why percarbamide and sodium percarbonate are stable to H2O2/H2O isomorphic transformations. The review ends with a description of the main modern trends in the synthesis of crystalline peroxosolvates, in particular, the production of peroxosolvates of high-energy compounds and mixed pharmaceutical forms with antiseptic and analgesic effects.

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The Crystal Structure of 2,2'-Bipyridinium(1+) mu-Hydrogen-bis[(2,2'-bipyridine)oxodiperoxovanadate](1-)-x-hydrogen peroxide-(6-x)-water, (Hbipy)[H{VO(O2)2bipy}2].xH2O2.(6-x)H2O, x ~= 0.5, at -100 degrees C.

Cited by 29 publications

References 0 publications

Coordinating Ability of Anions, Solvents, Amino Acids, and Gases towards Alkaline and Alkaline‐Earth Elements, Transition Metals, and Lanthanides

Coordinating Ability of Anions, Solvents, Amino Acids, and Gases towards Alkaline and Alkaline‐Earth Elements, Transition Metals, and Lanthanides

Vanadium(V) Hydroxylamido Complexes: Solid State and Solution Properties¹

Crystalline Peroxosolvates: Nature of the Coformer, Hydrogen-Bonded Networks and Clusters, Intermolecular Interactions

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The Crystal Structure of 2,2'-Bipyridinium(1+) mu-Hydrogen-bis[(2,2'-bipyridine)oxodiperoxovanadate](1-)-x-hydrogen peroxide-(6-x)-water, (Hbipy)[H{VO(O2)2bipy}2].xH2O2.(6-x)H2O, x ~= 0.5, at -100 degrees C.

Cited by 29 publications

References 0 publications

Coordinating Ability of Anions, Solvents, Amino Acids, and Gases towards Alkaline and Alkaline‐Earth Elements, Transition Metals, and Lanthanides

Coordinating Ability of Anions, Solvents, Amino Acids, and Gases towards Alkaline and Alkaline‐Earth Elements, Transition Metals, and Lanthanides

Vanadium(V) Hydroxylamido Complexes: Solid State and Solution Properties1

Crystalline Peroxosolvates: Nature of the Coformer, Hydrogen-Bonded Networks and Clusters, Intermolecular Interactions

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Vanadium(V) Hydroxylamido Complexes: Solid State and Solution Properties¹