Synthesis, structural characterization, and magnetic properties of vanadium(3+) dimer compounds. Neutron scattering and magnetic circular dichroism study of cesium chlorovanadate (Cs3V2Cl9) and rubidium bromovanadate (Rb3V2Br9)

Leuenberger, Bruno; Briat, B.; Canit, J. C.; Fürrer, A.; Fischer, P.; Guedel, Hans U.

doi:10.1021/ic00237a003

Cited by 29 publications

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“…The magnetic susceptibilities for several values of Δ are shown in Figure 7. The obtained temperature dependence of the mean susceptibility for $|\Delta | \mathbin{\lower.3ex\hbox{$\buildrel<\over{\smash{\scriptstyle\sim}\vphantom{_x}}$}} 0.07$ is qualitatively coincide with the experimental result41 (Fig. 7e) of a powder Cs 3 V 2 Cl 9 sample.…”

Section: Analysis Of the Resultssupporting

confidence: 81%

“…In Ref 41,. Leuenberger et al introduce the ferromagnetic spin Hamiltonian to describe the magnetic susceptibility of the V 2 Cl

_{9}^{3−}

cluster.…”

Section: Analysis Of the Resultsmentioning

confidence: 99%

“…For the calculations of the V 2 Cl

_{9}^{3−}

cluster in the Cs 3 V 2 Cl 9 solid, the length of the separation between V 3+ ions is known as 3.16 Å by the experiment,41 while the detailed structure of ligand Cl − ions is unknown. Therefore, the coordinates of the all Cl − ions are optimized using the DFT calculation with the gradient algorithm42, 43 with fixing the V 3+ –V 3+ separation.…”

Section: Dft Calculation Of Integrals For V2cl 93− Clustermentioning

confidence: 99%

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Cocrystallization mechanism of poly(3‐hexyl thiophenes) with different amount of chain regioregularity

Pal

Nandi

2006

J of Applied Polymer Sci

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ABSTRACT:The overall crystallization rates of poly (3-hexyl thiophene) (P3HT) cocrystals with different amount of regioregularity of the components are measured using differential scanning calorimetry (DSC). Two pairs of cocrystals with varying compositions of the component polymers (viz P3HT(R) (regioregularity 92 mol %)/P3HT-2 (regioregularity 82 mol %), and P3HT-2/P3HT-1 (regioregularity 75 mol %)) are used. The crystallization rate at the same isothermal crystallization temperature (T c ) decreases with increasing regioregularity. The low Avrami exponent values (0.15-1.0) in all the samples suggest the presence of rigid amorphous portion, which cannot diffuse out quickly from the crystal growth front (soft impingement). Analysis of crystallization rate using Laurintzen-Hoffman (L-H) growth rate theory indicates Regime I to Regime II transition in all the samples. The product of lateral and end surface energy values ( e ) increases gradually with increasing regioirregularity in the blend. Analysis of values indicates chain extension of the components in the melt of the blend and the entropy of activation (⌬S I-II ) of the cocrystals are higher than those of the components. The entropy of cocrystallization (⌬S c ) values are 1-2.4 e.u for P3HT(R)/P3HT-2 system and 0.5-1 e.u for P3HT-2/P3HT-1 system.

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Section: Analysis Of the Resultssupporting

confidence: 81%

“…In Ref 41,. Leuenberger et al introduce the ferromagnetic spin Hamiltonian to describe the magnetic susceptibility of the V 2 Cl

_{9}^{3−}

cluster.…”

Section: Analysis Of the Resultsmentioning

confidence: 99%

“…For the calculations of the V 2 Cl

_{9}^{3−}

Section: Dft Calculation Of Integrals For V2cl 93− Clustermentioning

confidence: 99%

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Cocrystallization mechanism of poly(3‐hexyl thiophenes) with different amount of chain regioregularity

Pal

Nandi

2006

J of Applied Polymer Sci

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“…With the exception of (Me 4 N) 3 M 2 F 9 (M = V 3+ , Cr 3+ , Fe 3+ ) [5,6] and Cs 3 M 2 F 9 (M = Fe 3+ , Ga 3+ ) [7,8], no fluoro complexes of the type A 3 M 2 X 9 were known so far. The A 3 M 2 X 9 compounds contain binuclear units [M 2 X 9 ] 3± of trigonal symmetry, which can be used as model systems for the study of exchange interactions [2,3,9,10,11]. In this context we have recently been exploring the magnetic and optical properties of novel compounds of the stoichiometry (Et 4 N) 3 M 2 F 9 (M = V 3+ , Cr 3+ , Fe 3+ ) [12±14].…”

Section: Introductionmentioning

confidence: 99%

Crystal Structures of (Et4N)3M2F9 (M = V, Cr, Fe) determined by X-Ray Single-Crystal and Powder Diffraction: A New Structure Type for A3M2X9 Compounds

Krämer

Schenker

Hauser

et al. 2001

Z. anorg. allg. Chem.

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The syntheses and X-ray structure determinations of single crystals and powders are reported for the compounds (Et 4 N) 3 M 2 F 9 (M = V 3+ , Cr 3+ , Fe 3+ ). The compounds are isostructural and represent a new structure type for A 3 M 2 X 9 compounds. They crystallize in the hexagonal space group P6 3 /m with Z = 2. Their lattice parameters are (Et 4 NStrukturbestimmung von (Et 4 N) 3 M 2 F 9 (M = V, Cr, Fe) mittels Einkristallund Pulverro È ntgendiffraktion: Ein neuer A 3 M 2 X 9 Strukturtyp Inhaltsu È bersicht. Die Verbindungen (Et 4 N) 3 M 2 F 9 (M = V 3+ , Cr 3+ , Fe 3+ ) wurden synthetisiert und ihre Kristallstrukturen aus Ro È ntgendiffraktionsmessungen an Einkristallen und Pulvern bestimmt. Alle drei Verbindungen sind isostrukturell und repra È sentieren einen neuen A 3 M 2 X 9 Strukturtyp. Sie kristallisieren in der hexagonalen Raumgruppe P6 3 /m mit Z = 2. Ihre Gitterkonstanten betragen fu È r (Et 4 N

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“…It is to be noted that inelastic neutron scattering, magnetic circular dichroism, and magnetic susceptibility studies exhibited ferromagnetic interactions within the core in Cs 3 [V III 2 Cl 9 ] and Rb 3 [V III 2 Br 9 ]. 19 To deliver complex 2 in this context, keeping in mind that no mixedvalent (µ-Cl) 3 -bridged V III -V IV species is known, the moderate antiferromagnetic exchange parameter J 1 ) -47.6 cm -1 for 2 is quite reasonable.…”

mentioning

confidence: 99%

A Magneto-Structural Study of a Hexanuclear (V^IV═O)₆-Complex and a Tetranuclear Mixed-Valent [V^III₂V^IV₂] Species

Biswas¹,

Weyhermüller

Bill

et al. 2009

Inorg. Chem.

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Syntheses, crystal structures, and magnetic properties are reported for a hexametallic and a mixed-valent tetrametallic vanadium cluster, namely [Na(L(1))(6)(V(IV)=O)(6)]ClO(4) (1) and [(L(2))(2)V(III)(2)V(IV)(2)(mu-Cl)(6)Cl(4)] (2), where H(2)L(1) represents N-methyldiethanolamine and H(2)L(2) N'N'-di(3,5-di-tert-butyl-salicylidene)-1,3-diaminobenzene. The structure of the cation in 1 is comprised of a hexagon of six (V(IV)=O) units, in which a sodium ion is encapsulated in the center of the hexagon. Thus, the hexametalate ring contains six d(1) ions, each of which is in an octahedral environment of O(5)N atoms. Magnetic studies reveal the cluster to exhibit ferromagnetic exchange interactions (J = +16.7 +/- 0.3 cm(-1)), which is rationalized by the orthogonal neighboring xy planes of d(1) V(IV)=O ions. The structure of complex 2 can be considered as two mixed-valent face-sharing bioctahedral units of [V(III)(mu-Cl)(3)V(IV)] bridged by two m-phenylene linkers. The V(1)(III)...V(2)(IV) distances of av. 3.10 A preclude metal-metal bonding. Variable-temperature magnetic susceptibility data are fitted to obtain the parameters J(1) = -47.6 cm(-1), J(2) = +1.5 cm(-1), g(V(III)) = 1.95, g(V(IV)) = 1.85 (H = -2J x S(i).S(j)). The ferromagnetic coupling J(2) operates at a distance of approximately 7.09 A between two vanadium centers through the spin polarization mechanism due probably to the topology (1,3-substitution) of the m-phenylene bridges. The X-band electron paramagnetic resonance (EPR) spectrum analyzed with S(t) = 1 shows that the mixed-valent V(III)V(IV) species has indeed been formed and the tetranuclear core remains intact in solution. The hyperfine coupling constants indicate the localized mixed-valence nature of 2.

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Synthesis, structural characterization, and magnetic properties of vanadium(3+) dimer compounds. Neutron scattering and magnetic circular dichroism study of cesium chlorovanadate (Cs3V2Cl9) and rubidium bromovanadate (Rb3V2Br9)

Cited by 29 publications

References 0 publications

Cocrystallization mechanism of poly(3‐hexyl thiophenes) with different amount of chain regioregularity

Cocrystallization mechanism of poly(3‐hexyl thiophenes) with different amount of chain regioregularity

Crystal Structures of (Et4N)3M2F9 (M = V, Cr, Fe) determined by X-Ray Single-Crystal and Powder Diffraction: A New Structure Type for A3M2X9 Compounds

A Magneto-Structural Study of a Hexanuclear (V^IV═O)₆-Complex and a Tetranuclear Mixed-Valent [V^III₂V^IV₂] Species

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Synthesis, structural characterization, and magnetic properties of vanadium(3+) dimer compounds. Neutron scattering and magnetic circular dichroism study of cesium chlorovanadate (Cs3V2Cl9) and rubidium bromovanadate (Rb3V2Br9)

Cited by 29 publications

References 0 publications

Cocrystallization mechanism of poly(3‐hexyl thiophenes) with different amount of chain regioregularity

Cocrystallization mechanism of poly(3‐hexyl thiophenes) with different amount of chain regioregularity

Crystal Structures of (Et4N)3M2F9 (M = V, Cr, Fe) determined by X-Ray Single-Crystal and Powder Diffraction: A New Structure Type for A3M2X9 Compounds

A Magneto-Structural Study of a Hexanuclear (VIV═O)6-Complex and a Tetranuclear Mixed-Valent [VIII2VIV2] Species

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A Magneto-Structural Study of a Hexanuclear (V^IV═O)₆-Complex and a Tetranuclear Mixed-Valent [V^III₂V^IV₂] Species