4,4′-Bipyridine-1,1′-diium 2,3,5,6-tetrabromoterephthalate dihydrate

Kumagai, Hiroo; Kawata, Satoshi

doi:10.1107/s1600536811035926

Cited by 5 publications

(3 citation statements)

References 6 publications

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“…Indeed, the dihedral angle through the inter-ring carbon–carbon bond is approximately 24.3°. The average values of the C–C and C–N bond lengths are in agreement with those found in salts based on this doubly protonated organic cation. − …”

Section: Resultssupporting

confidence: 84%

Molecular Self-Assembly in a Family of Oxo-Bridged Dinuclear Ruthenium(IV) Systems

Orts-Arroyo

Castro

Lloret

et al. 2020

Crystal Growth & Design

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A series of six novel RuIV compounds of formula (H2bpy)2[{RuCl5}2(μ-O)] (1), (PPh4)2[{RuCl4(H2O)}2(μ-O)]·4H2O (2), (PPh4)2[{RuCl4(MeCN)}2(μ-O)] (3), (PPh4)2[{RuCl4(dmf)}2(μ-O)] (4), (PPh4)2[{RuCl4(py)}2(μ-O)] (5), and [{RuCl3(bpym)}2(μ-O)]·6H2O (6) [H2bpy2+ = 4,4′-bipyridine-1,1′-diium cation; PPh4 + = tetraphenylphosphonium cation; dmf = N,N′-dimethylformamide; py = pyridine; bpym = 2,2′-bipyrimidine] have been prepared and spectroscopically, electrochemically, and magnetically characterized. Compounds 1, 2, 5, and 6 crystallize in the triclinic system with space group P1̅, whereas 3 and 4 crystallize in the monoclinic system with space group P21/c. While 1–5 are salts based on anionic dinuclear RuIV species, 6 is a neutral diruthenium(IV) complex. The Ru–O–Ru core is present in 1–6 [with values of the Ru–Ooxo bond length covering the range of 1.774(1)–1.816(1) Å and the values of the Ru–O–Ru angle (θ) varying in the range of 164.3–180.0°]. In their crystal lattice, intermolecular RuIV–Cl···Cl–RuIV halogen bonds (1 and 6), Cl···π (1 and 3–6), and π···π (5 and 6) type interactions as well as hydrogen bonds (1, 2, and 6) are present. These intermolecular interactions generate novel supramolecular structures based on the self-assembly of (μ-oxo)diruthenium(IV) complexes. Magnetic susceptibility measurements performed on microcrystalline samples of 1–6 confirmed the diamagnetic nature for the six compounds, which are strongly antiferromagnetically coupled. The study of the electrochemical properties of 2–6 through cyclic voltammetry (CV) in dmf allowed us to evaluate the effect of the ligand nature on the rich redox features along this series of (μ-oxo)diruthenium(IV) complexes.

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Section: Resultssupporting

confidence: 84%

Molecular Self-Assembly in a Family of Oxo-Bridged Dinuclear Ruthenium(IV) Systems

Orts-Arroyo

Castro

Lloret

et al. 2020

Crystal Growth & Design

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“…Here, we are going to describe the crystal structure of TBTA ( 1 ), hydrated-TBTA ( 2 ), two salts of TBTA ( 3 and 4 ), and two co-crystals of TBTA ( 5 and 6 ). Among these, the crystals structure of TBTA 2– –4,4′-bipy 2+ ( 3 ) was previously reported . We have solved the crystal structures of TBTA ( 1 ) and TBTA 2– –4,4′-bipy 2+ ( 3 ) from powder X-ray diffraction data, and the corresponding Rietveld plots are presented in Figure a,b.…”

Section: Resultsmentioning

confidence: 84%

Tetrabromoterepthalic Acid in Designing Co-crystals and Salts: Modification of Optical Properties and Schottky Barrier Effect

Dey

Saha

Biswas

et al. 2013

Crystal Growth & Design

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Herein, tetrabromoterepthalic acid (TBTA) is used as the potential co-crystal former with various organic base molecules containing free nitrogen atoms. The crystal structure of TBTA (compound 1) has been determined from powder X-ray diffraction (PXRD) data. In a systematic way, we have synthesized hydrated-TBTA (compound 2), two salts of TBTA [TBTA2––4,4′-bipy2+ (compound 3), 4,4′-bipy = 4,4′-bipyridine, and TBTA2––(3-AP+)2 (compound 4), 3-AP = 3-aminopyridine] and two co-crystals of TBTA [TBTA–DPTZ (compound 5), DPTZ = 3,6-di(pyridyl-2-yl)-1,2,4,5-tetrazine, and TBTA–(3-IP)2 (compound 6), 3-IP = 3-iodopyridine]. All of the compounds were characterized by structural, spectral, and thermal studies. Supramolecular structural analysis reveals that 1 forms a 2D supramolecular sheet structure by means of O–H···Br hydrogen bonding interactions and hydrated-2 forms a 3D supramolecular structure through water mediated hydrogen bonding interactions and π··· interactions. The O–H···N/O¯···H–N+ hydrogen bonding interactions between acid and base molecules give rise to 1D supramolecular chain structure in 3 and supramolecular trimers in 4, 5, and 6. Because of presence of charge assisted O¯···H–N+ hydrogen bonds between acid–base molecules, 3 and 4 form hydrogen bonds with solvent water molecules, and also both 3 and 4 form 3D supramolecular structures using both hydrogen bonding and π··· interactions. In co-crystal 5, solvent water molecules participate in crystallization in contrast to 6, and it has been observed that 5 forms 3D supramolecular structure, while 6 forms 2D supramolecular structure using both hydrogen bonding and π··· interactions. An investigation of intermolecular closed contacts has been carried out by Hirshfeld surface analysis, and associated 2D fingerprint plots reveal the similarities and differences of TBTA molecules in these six crystal structures. Photoluminescence spectra of all the compounds have been studied, and they reveal that with change of polarity around TBTA luminescent intensity of the compounds has been modified. I–V measurement indicates that 3 shows semiconducting behavior, and the ITO/3/Al sandwich structure acts as a Schottky barrier diode. The device exhibits an excellent rectification ratio (19 at ±1 V) with an ideality factor of 2.96. The semiconducting behavior of 3 is attributed to the formation charge assisted hydrogen bonding interactions between acid and base molecules.

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“…The average values of the C-C and C-N bond lengths are in agreement with those found in salts based on this doubly protonated organic cation. [55][56][57][58][59][60][61] In Table 2). [62][63] This leads to a chain-like motif growing along the crystallographic b axis (Figure 3).…”

Section: Structure Description Of 1 Andmentioning

confidence: 99%

Self-assembly of the tetrachlorido(oxalato)rhenate(iv) anion with protonated organic cations: X-ray structures and magnetic properties

et al. 2017

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Self-assembly of the tetrachlorido(oxalato)rhenate( iv ) anion with protonated organic cations: X-ray structures and magnetic properties Citation for published version: Pedersen, AH, Julve, M, Brechin, EK & Martínez-lillo, J 2016, 'Self-assembly of the tetrachlorido(oxalato)rhenate( iv ) anion with protonated organic cations: X-ray structures and magnetic properties ', CrystEngComm, vol. 19,no. 3,. https://doi.Two novel Re IV compounds of formulae [H2bpy][Re IV Cl4(ox)] (1) and [H3biim]2[Re IV Cl4(ox)] (2) [H2bpy 2+ = 4,4'-bipyridinium dication, H3biim + = 2,2′-biimidazolium monocation, and ox = oxalate dianion] have been synthesised and magnetostructurally characterised.

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4,4′-Bipyridine-1,1′-diium 2,3,5,6-tetrabromoterephthalate dihydrate

Cited by 5 publications

References 6 publications

Molecular Self-Assembly in a Family of Oxo-Bridged Dinuclear Ruthenium(IV) Systems

Molecular Self-Assembly in a Family of Oxo-Bridged Dinuclear Ruthenium(IV) Systems

Tetrabromoterepthalic Acid in Designing Co-crystals and Salts: Modification of Optical Properties and Schottky Barrier Effect

Self-assembly of the tetrachlorido(oxalato)rhenate(iv) anion with protonated organic cations: X-ray structures and magnetic properties

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