Influence of the counter ion on the structure of two new copper(I) coordination polymers: Synthesis, structural characterization and thermal analysis

Beheshti, Azizolla; Nobakht, Valiollah; Carlucci, Lucia; Proserpio, Davide M.; Abrahams, Carmel T.

doi:10.1016/j.molstruc.2012.12.051

Cited by 27 publications

(16 citation statements)

References 28 publications

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“…One can envision that molecules can be suitably chosen for coordination to solid surfaces to influence the catalytic reactions thereon. Similarly, the optical properties of materials, such as CuSCN, can also be modulated through ligand modifications. − In functional devices such as perovskite solar cells, molecular coordination to surfaces and interfaces has been demonstrated to drastically modulate the device characteristics. Conceivably, the crystallinity of the perovskite layer and the energy landscape of its interfaces with the electron transport layer (ETL) and with the hole transport layer (HTL) can be modified, thus sharply influencing the cell performance.…”

Section: Introductionmentioning

confidence: 99%

Understanding the Diverse Coordination Modes of Thiocyanate Anion on Solid Surfaces

et al. 2019

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Thiocyanate anion (SCN–) can coordinate to solid surfaces in various coordination modes, endowing the solid surfaces with different structures and electronic and catalytic properties, but the rules that dictate the coordination preference are poorly understood due to the multiple coordination sites of both SCN– and the solid surfaces as well as the SCN–-lattice mismatch. In this article, extensive density functional theory calculations are performed to study the coordination modes of SCN– on some selected solid surfaces. In particular, the influence of surface stress, coverage, and counter cations is discussed at length. It is found that the time-honored principle of hard soft acid base can only partly account for the preference of sulfur or nitrogen coordination to the solid surfaces due to its failure to treat the Lewis acids and bases located at the borderline and to deal with the multiple coordination sites and the SCN–-lattice mismatch. Specific to solid surfaces, the coordination number and coordination strength can be gradually changed by applying stress. Moreover, the interactions of SCN– with the counter cations and solvent (water) can modify its coordination mode, which generally favors sulfur coordination owing to the stronger interaction between the more electronegative dangling nitrogen and the counter cations or water. The coordination of SCN– could modify the electronic and geometric properties of the solid surface, which would benefit the design of catalysts. For example, the SCN– coordination improved the conductivity of β-Ni(OH)2, which is potentially useful in electrocatalysis. This work sheds light on the coordination mode of SCN– with significant implications on a variety of applications that can exploit the coordination chemistry.

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Section: Introductionmentioning

confidence: 99%

Understanding the Diverse Coordination Modes of Thiocyanate Anion on Solid Surfaces

et al. 2019

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“…Despite polymeric structures for copper(I) halides or pseudohalides are well known and investigated, CPs or MOFs made of copper(I) in the presence of non-coordinating anions, such as PF 6 -, BF 4 -, ClO 4 -, and SbF 6 -, are still rare and need to be explored more. [22][23][24][25][26] Highly coordinating halides often act as the structure directing factor in the assembly of polymeric copper(I) halide compounds, thus preventing Cu(I) to fully exploit its coordination ability.…”

Section: Introductionmentioning

confidence: 99%

“…CCDC reference numbers 1824721-1824723 for 1, 2, and 3, respectively. Crystallographic data and structure refinement details for 1-3. for comparison 23. To accurately evaluate the effect of the geometry of the linkers on the structure of the assembled products, and to avoid side effects of the counter anion, we have used Cu(I) salt of the non-coordinating hexafluorophosphate (PF 6 -) anion.…”

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confidence: 99%

Three Cationic, Nonporous Cu^I-Coordination Polymers: Structural Investigation and Vapor Iodine Capture

Baladi

Nobakht

Tarassoli

et al. 2018

Crystal Growth & Design

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Three cationic non-porous copper(I) coordination polymers containing bis-pyrazolyl flexible ligands have been prepared and characterized, namely {[Cu(μ-bdb) 1.5 ](PF 6)} n (1), {[Cu(μbpb) 2 ](PF 6)} n (2) and {[Cu(μ-bpmb) 2 ](PF 6)} n (3) (bdb = 1,4-bis(3,5-dimethylpyrazolyl) methyl)benzene; bpb = 1,4-bis(pyrazolyl)butane; bpmb = 1,4-bis(pyrazolyl) methyl)benzene). All compounds were characterized by IR, PXRD, elemental and thermal analyses, and singlecrystal X-ray diffraction. Compound 1, with methyl-substituted pyrazolyl ligand, forms a chain of alternating rings and ribbons in which the copper(I) centers are three coordinated in distorted trigonal planar geometry. In compounds 2 and 3 copper(I) atoms adopt distorted tetrahedral geometries giving two dimensional sheet structures with 4 4-sql topology. Interestingly, iodine sorption experiments show that colorless crystals of 2 and 3 remain unchanged in the presence of iodine vapors, while the three coordinated compound 1 immediately absorb iodine and turn dark. Anion exchange behavior of compounds 1 and 2 was also investigated both in solution and in solid state.

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“…The incorporation of anions plays a decisive role when neutral bridging ligands are combined with cationic nodes [18,19]. A counter-anion with variable coordination ability, including various bridging or terminal modes, may act as nucleophile and compete with the organic spacer ligands for metal coordination.…”

Section: Introductionmentioning

confidence: 99%

A series of 1-D zinc(II) coordination polymers with 3-D supramolecular networks: synthesis, structural investigation, and NBO analysis

Zahedi

Shaabani

Rad-Yousefnia

et al. 2018

Journal of Coordination Chemistry

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Influence of the counter ion on the structure of two new copper(I) coordination polymers: Synthesis, structural characterization and thermal analysis

Cited by 27 publications

References 28 publications

Understanding the Diverse Coordination Modes of Thiocyanate Anion on Solid Surfaces

Understanding the Diverse Coordination Modes of Thiocyanate Anion on Solid Surfaces

Three Cationic, Nonporous Cu^I-Coordination Polymers: Structural Investigation and Vapor Iodine Capture

A series of 1-D zinc(II) coordination polymers with 3-D supramolecular networks: synthesis, structural investigation, and NBO analysis

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Influence of the counter ion on the structure of two new copper(I) coordination polymers: Synthesis, structural characterization and thermal analysis

Cited by 27 publications

References 28 publications

Understanding the Diverse Coordination Modes of Thiocyanate Anion on Solid Surfaces

Understanding the Diverse Coordination Modes of Thiocyanate Anion on Solid Surfaces

Three Cationic, Nonporous CuI-Coordination Polymers: Structural Investigation and Vapor Iodine Capture

A series of 1-D zinc(II) coordination polymers with 3-D supramolecular networks: synthesis, structural investigation, and NBO analysis

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Product

Resources

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Three Cationic, Nonporous Cu^I-Coordination Polymers: Structural Investigation and Vapor Iodine Capture