Crystal engineering and [C-H ⋯O] hydrogen bonds at the organic/inorganic interface. The bi-continuous hybrid composite, κ(2/3-3)-(EDT-TTF)8{[Ca(H2O)4]2(TeW6O24)· 7H2O}2

Comptes Rendus de l'Academie des Sciences - Series IIc: Chemistry

Volumn 1, Issue 10, 1998, Pages 627-633

  Boubekeur, Kamal ^a   Riccardi, Régis ^a   Batail, Patrick ^a   Canadell, Enric ^b  

^a UNIVERSITÉ DE NANTES   (France)

^b UNIVERSITAT AUTÒNOMA DE BARCELONA   (Spain)

Author keywords

Calcium; Cooperative effects; Copolymerizations; Interfaces; Polyoxometallates; Radical ions

Indexed keywords

EID: 0032186463     PISSN: 13871609     EISSN: None     Source Type: Journal    
DOI: 10.1016/S1387-1609(99)80018-8     Document Type: Article

References (27)

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2. [2] BEDT-TTF is bis-ethylenedithiotetrathiafulvalene and EDT-TTF is ethylenedithiotetrathiafulvalene. The α-, β-and κ-phase denominations refer to the geometrical patterns observed for the organic slabs in BEDT-TTF salts where molecules of one stack form a marked dihedral angle with molecules on the adjacent stack (α); the molecules on adjacent stacks are parallel (β); the slab is paved with twisted donor dimers instead (κ). See: Williams J.M., Ferraro J.R., Thorn R.J., Carlson K.D., Geiser U., Wanf H.H., Kini A.M., Whangbo M.-H., Organic Superconductors (Including Fullerenes): Synthesis, Structure, Properties and Theory, Prentice-Hall, Inc., Englewood Cliffs, New Jersey, 1992, p. 81.
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11. 2 and distilled water consistently yielded superb single crystals of the same phase.
12. -3.
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17. [14] The calculations use an extended Hückel type hamiltonian (Hoffmann R., J. Chem. Phys. 39 (1963) 1397-1412) and a modified Wolfsberg-Helmholz formula ( Ammeter J.H., Bürgi H.-B., Thibeault J., Hoffmann R., J. Am. Chem. Soc. 100 (1978) 3686-3692) to calculate the nondiagonal Hij matrix elements and a double-z atomic orbitals basis set.
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25. [18] This is the typical coordination number and geometry for Ca-aquo complexes; an oxygen atom is considered to contribute to the Ca ion second coordination sphere if its distance to any atom of the first coordination sphere is at most 3.0 Å: (a) Carugo O., Djinovic K., Rizzi M., J. Chem. Soc., Dalton Trans. (1993) 2127-2135;
26. (b) Uriel S., Boubekeur K., Gabriel J.-C.P., Batail P., Orduna J., Bull. Soc. Chim. Fr. 133 (1996) 783-794.
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