Structural characterization, thermal, dielectric, vibrational properties and molecular dynamics of (C5H5NH)3BiCl6

Tarasiewicz, J.; Jakubas, R.; Bator, G.; Zaleski, Jacek; Baran, J.; Medycki, W.

doi:10.1016/j.molstruc.2009.05.034

Cited by 25 publications

(11 citation statements)

References 32 publications

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“…[19][20][21][22][23][24] However, the use of HX acids, i.e. concentrated, as solvents and sources of halide (in great excess with respect to Bi) usually results in anions of lower nuclearity, predominantly mononuclear [BiX 6 ] 3À [25][26][27][28][29] and binuclear [Bi 2 X 10 ] 4À . 14,15,30,31 Therefore, the fact that [Bi 2 X 10 ] 4À cations have formed under the reaction conditions is not exceptional.…”

Section: Resultsmentioning

confidence: 99%

Binuclear Bi(iii) halide complexes with 4,4′-ethylenepyridinium cations: luminescence tuning by reversible solvation

et al. 2015

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Section: Resultsmentioning

confidence: 99%

Binuclear Bi(iii) halide complexes with 4,4′-ethylenepyridinium cations: luminescence tuning by reversible solvation

et al. 2015

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“…Since the publication of our work described above, a number of crystal structure determinations of chlorobismuthates − and chloroantimonates ,− have also been published. In addition, new spectroscopic data have also been reported for the chloro-, bromo-, and iodobismuthates − and -antimonates. − …”

Section: Introductionmentioning

confidence: 98%

Trans Effect in Halobismuthates and Haloantimonates Revisited. Molecular Structures and Vibrations from Theoretical Calculations

Sheu

Laane

2013

Inorg. Chem.

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Ab initio and density functional theory computations have been carried out to calculate the structures and vibrational spectra of halobismuthates and haloantimonates of formulas MX6(3-), M2X10(4-), and M2X9(3-) for M = Bi or Sb and X = I, Br, or Cl. The results have been compared to experimental crystal structures and the infrared and Raman spectra of these species as well as the (MX5(2-))n and (MX4(1-))n anions. Even though the calculations neglect the effect of which cation is present, they do a good job in verifying the observed trends in bond distances and bond stretching vibrational frequencies. External bonds across from bridging bonds are the shortest and have the highest stretching frequencies for all of the ions investigated. This supports the previously postulated "trans effect". Since the calculations were carried out for individual noninteracting anions, the computed results can be expected to best represent the idealized species unperturbed by the effect of the cations present. The trans effect results in shortening of the M-X bonds by 0.08-0.13 Å. It also leads to frequency increases of about 20% for the M-X stretching vibrations.

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“…The size of the organic cations, their symmetry, and ability to form the hydrogen bonds determine the physical properties in these materials (e.g., nonlinear optical properties, luminescence, conductivity etc.) [2][3][4][5][6]. The halobismuthate (III) family, in particular the chlorobismuthate, is composed of distorted (BiCl 6 ) 3− isolated octahedra or connected by corners, edges, or faces forming ribbons, plans, or layers.…”

Section: Introductionmentioning

confidence: 99%

Synthesis, Crystal Structure, and Characterization of a New Organic-Inorganic Hybrid Material:

Boughzala

Driss

2013

Journal of Crystallography

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The title compound is an organic-inorganic hybrid material. The single crystal X-ray diffraction investigation reveals that the studied compound crystallizes in the orthorhombic system, space group Pbca with the following lattice parameters: (4) Å, (3) Å, (6) Å, and . The crystal lattice is composed of a discrete anion surrounded by piperazinium cations, chlorine anions, and water molecules. Complex hydrogen bonding interactions between , , organic cations, and water molecules form a three-dimensional network. Room temperature IR, Raman spectroscopy, and optical absorption of the title compound were recorded and analysed. The observed crystal morphology was compared to the simulated one using the Bravais-Friedel, Donnay-Harker model.

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Structural characterization, thermal, dielectric, vibrational properties and molecular dynamics of (C5H5NH)3BiCl6

Cited by 25 publications

References 32 publications

Binuclear Bi(iii) halide complexes with 4,4′-ethylenepyridinium cations: luminescence tuning by reversible solvation

Binuclear Bi(iii) halide complexes with 4,4′-ethylenepyridinium cations: luminescence tuning by reversible solvation

Trans Effect in Halobismuthates and Haloantimonates Revisited. Molecular Structures and Vibrations from Theoretical Calculations

Synthesis, Crystal Structure, and Characterization of a New Organic-Inorganic Hybrid Material:

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