Isolation of a thermodynamically unfavorable [Ni(DACO)2]2+ complex and its isomer: syntheses, characterization, crystal structures and theoretical study (DACO=1,5-diazacyclooctane)

Du, Miao; Bu, Xian‐He; Wang, Gui‐Chang; Guo, Yun; Zhang, Ruo-Hua

doi:10.1016/s0020-1693(01)00472-8

Cited by 14 publications

(4 citation statements)

References 25 publications

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“…After protonation of N2 and N3 (rather than N1), the structure retains the same boat/chair conformation as in [1bH]PF 6 . In the structures of both [1bH]PF 6 and [1b2H]OTf 2 the C--N--C fold angle is comparable to both previously reported protonated DACO moieties 61,68,70,71 as well as metal complexes containing the DACO moiety. 34 Furthermore, the bond lengths and angles were found to be in the region of those previously reported.…”

supporting

confidence: 82%

“…All bond lengths were in agreement with those previously reported for diprotonated DACO rings. 68 Unusually, when compared to the other crystal structures we obtained (vide infra) and those previously reported in the literature for a diprotonated DACO moiety, 68 the nitrogen lone pairs in 193HBr are located on opposite faces of the ring. This arrangement would disfavour complex formation.…”

Section: Please Do Not Adjust Marginsmentioning

confidence: 70%

“…The 58,65,67,68 as well as metal complexes containing the DACO moiety. 35 Furthermore, the bond lengths and angles were found to be in the region of those previously reported.…”

Section: Resultsmentioning

confidence: 99%

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Synthesis and characterisation of a mesocyclic tripodal triamine ligand

et al. 2016

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Meso-- and macrocyclic polydentate amine ligands have been widely explored in oxidation catalysis and for the stabilization of unstable metal--superoxide, --peroxide, and --oxo intermediates. Herein we report on the design and synthesis of a novel mesocyclic, tripodal, triamine ligand that we believe will be an excellent addition to this field. We explored a number of synthetic procedures towards the mesocyclic asymmetric tetraalkylated ligand 1. We expect that 1 will bind metals in a facially capping manner, yielding complexes that display pseudo--tetrahedral geometry, potentially providing access to unprecedented late transition metal--oxo complexes (metal = Co, Ni, Cu). We describe the preparation of a library of mescocylcic polyamine synthons (8, 16, 17, 18, 19) that are precursors in the synthesis of 1. These synthons will be used to tailor the electronic properties of metal complexes of 1 and derivatives thereof. The X--ray crystal structures of 19 and mono-- and di--protonated forms of 1b show that the triamine crystalises in a boat--chair conformation which is undesirable for metal coordination.

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confidence: 82%

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confidence: 70%

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Synthesis and characterisation of a mesocyclic tripodal triamine ligand

et al. 2016

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“…The reported charge-balanced of diprotonated organic cationic compounds mainly focus on the use of the same anion (such as ClO 4 − , BF 4 − , Br − , I − ), few use different anions to balance the charge of diprotonated organic cationic to construct stimulus-responsive materials, especially for molecular-based phase change materials. Previously, charge-balanced of protons provided by different anions was mainly found in macrocyclic polyamine ligands and metal complexes. − …”

Section: Introductionmentioning

confidence: 99%

Switchable Dielectric Materials Based on a Diprotonated Organic Cation Containing Two Different Anions: (C₅H₁₆N₂)BF₄X (X = Cl, Br, NO₃)

Wang

Yan

et al. 2023

Crystal Growth & Design

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Three molecular-based phase transition compounds, namely, (C 5 H 16 N 2 )BF 4 Cl (1, C 5 H 16 N 2 = diprotonated 2,2-dimethyl-1,3-propanediamine), (C 5 H 16 N 2 )BF 4 Br (2), and (C 5 H 16 N 2 )BF 4 NO 3 (3), were synthesized and characterized. Differential scanning calorimetry and the step-like anomaly of the real part (ε′) of the temperature-dependent dielectric constant revealed that the compounds underwent reversible first-order phase transition with high phase transition temperature under the stimulation of temperature. Variable-temperature X-ray diffraction analysis revealed that the microcosmic driving force of phase transition was the order−disordered change of the organic cation and spherical anion. Notably, the diprotonated organic cations were charge-balanced by two different anions of the combination BF 4 − and Cl − , Br − and NO 3 − . Our research paves a new avenue to construct molecular-based phase transition materials with temperature stimulus response.

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Structural and Spectroscopic Studies on [Cu(DACH)₂(H₂O)]‐Cl₂ (DACH = 1,4‐Diazacycloheptane)

Guo

2002

Chin. J. Chem.

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A penta‐coordinated Cu(II) complex with 1,4‐diazacydoheptane(DACH), [Cu(DACH)2(H2O)]Cl2(1), has been synthesized and characterized by X‐ray diffraction, IR spectra, elemental analyses, thermal analyses, UV‐Vis and ESR techniques. Complex 1 crystallizes in orthorhombic crystal system, Pbcn space group with a = 1.6075(4), b = 1.0539(3), c = 0.9195(3) nm, V=l.5578(7) nm3, Mr = 352.79, Z = 4, Dc= 1.487 g/cm3, final R = 0.0451 and wR = 0.1294. The structure of 1 indicates that the central Cu(II) atom is penta‐coordinated by four nitrogen atoms of two DACH moieties at the equatorial positions and a water molecule at the axis position. The coordination geometry of Cu(II) could be considered as an approximately ideal square‐pyramidal environment. Both DACH rings arrange in cis‐form and are predominantly in the boat‐boat conformation (80%) with some disorder to the chair‐chair conformation (20%). The Cl− anions are hydrogen bonded with the nitrogen donors of the DACH rings and the oxygen donor of the coordinated H2O molecule to form a one‐dimensional zigzag linear structure. The solution behaviors of 1 are also discussed in detail by Uv‐vis and ESR technique.

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Isolation of a thermodynamically unfavorable [Ni(DACO)2]2+ complex and its isomer: syntheses, characterization, crystal structures and theoretical study (DACO=1,5-diazacyclooctane)

Cited by 14 publications

References 25 publications

Synthesis and characterisation of a mesocyclic tripodal triamine ligand

Synthesis and characterisation of a mesocyclic tripodal triamine ligand

Switchable Dielectric Materials Based on a Diprotonated Organic Cation Containing Two Different Anions: (C₅H₁₆N₂)BF₄X (X = Cl, Br, NO₃)

Structural and Spectroscopic Studies on [Cu(DACH)₂(H₂O)]‐Cl₂ (DACH = 1,4‐Diazacycloheptane)

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Isolation of a thermodynamically unfavorable [Ni(DACO)2]2+ complex and its isomer: syntheses, characterization, crystal structures and theoretical study (DACO=1,5-diazacyclooctane)

Cited by 14 publications

References 25 publications

Synthesis and characterisation of a mesocyclic tripodal triamine ligand

Synthesis and characterisation of a mesocyclic tripodal triamine ligand

Switchable Dielectric Materials Based on a Diprotonated Organic Cation Containing Two Different Anions: (C5H16N2)BF4X (X = Cl, Br, NO3)

Structural and Spectroscopic Studies on [Cu(DACH)2(H2O)]‐Cl2 (DACH = 1,4‐Diazacycloheptane)

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Switchable Dielectric Materials Based on a Diprotonated Organic Cation Containing Two Different Anions: (C₅H₁₆N₂)BF₄X (X = Cl, Br, NO₃)

Structural and Spectroscopic Studies on [Cu(DACH)₂(H₂O)]‐Cl₂ (DACH = 1,4‐Diazacycloheptane)