Crystal structure of di-μ-iodido-bis[bis(acetonitrile-κ<i>N</i>)copper(I)]

Barth, Eva Rebecca; Golz, Christopher; Knorr, Michael; Strohmann, Carsten

doi:10.1107/s2056989015018149

Cited by 3 publications

(2 citation statements)

References 11 publications

(11 reference statements)

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“…In a CH 3 CN solution synthesis, when CuI is dissolved in CH 3 CN, it forms [(Cu 2 I 2 )(NCCH 3 ) 4 ], which consists of Cu 2 I 2 dimers . Since the dimers are in solution, they can diffuse rapidly in solution, aggregate, and form the staircase motif seen in Yellow before the individual dimers are linked by pyrazine.…”

Section: Resultsmentioning

confidence: 99%

Out with Acetonitrile: Water-Assisted Accelerated-Aging Synthesis of CuI-Pyrazine Hybrid Materials

Lucas

Hou

2022

Crystal Growth & Design

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CuI and pyrazine form three hybrid materials, [(CuI) 2 (pyrazine)] (Yellow), [(CuI) 2 (pyrazine) 2 ] (Orange), and [(CuI)(pyrazine)] (Red). In this work, Red was prepared using a green synthetic method, water-assisted accelerated-aging synthesis, for the first time. The syntheses were performed under ambient conditions with only water and no organic solvents. Depending on the reaction conditions, the other two hybrid materials can be formed as well: Orange was formed immediately after dry grinding CuI and pyrazine, while Yellow can be formed from Red and an excess amount of CuI at mildly elevated temperatures. The impacts of temperature and types and amounts of liquid added to the aging mixture on the accelerated-aging synthesis were studied, and mechanisms of the synthesis and interconversions between the three CuI-pyrazine hybrid materials were proposed. This technique presents a potentially viable technique for inexpensive, large-scale production of these materials, and these insights may be valuable in the green synthesis of other hybrid materials.

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Section: Resultsmentioning

confidence: 99%

Out with Acetonitrile: Water-Assisted Accelerated-Aging Synthesis of CuI-Pyrazine Hybrid Materials

Lucas

Hou

2022

Crystal Growth & Design

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“…Figure 6. Computational investigations of found crystal structures 11 and 12and comparisons to potential exo-X and halogen-bridged μ-X" and μ-X "butterfly" dimers(20)(21)(22)(23).…”

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confidence: 99%

Evaluating Coordinative Binding Mechanisms through Experimental and Computational Studies of Methoxy‐Substituted Arylazothioformamide Copper(I) Complexes

et al. 2022

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Redox‐active arylazothioformamide (ATF) ligands, when reacted with CuI salts, coordinate to form a variety of 1 : 1 dimers and 2 : 1 ligand‐metal complexes through a N=N−C=S chelation motif. In this study, monosubstituted (ortho/meta/para) methoxy regioisomers of ATF were synthesized and evaluated with CuI halide and BF4 salts. UV‐Vis binding association studies revealed a 2 : 1 binding association model against all species producing a para ≫ ortho > meta pattern across the methoxy substitution range. To understand why the 2 : 1 non‐linear binding model was preferred over a 1 : 1 model for CuI halide salt dimers (i. e., A2B2), a series of mechanisms were computed indicating that metal salt dimers (i. e., B+B→B2) or ligand‐metal salt‐metal salt‐ (i. e., AB+B→AB2) interactions provide favorable pathways. Combined, the data substantiate the 2 : 1 binding association mechanistically even as the substitution pattern, steric bulk, and electronics alter the coordination strength of the ligands to the CuI center.

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Structural and Luminescence Properties of Cu(I)X-Quinoxaline under High Pressure (X = Br, I)

et al. 2023

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A study of high-pressure single-crystal X-ray diffraction and luminescence experiments together with ab initio simulations based on the density functional theory has been performed for two isomorphous copper(I) halide compounds with the empirical formula [C8H6Cu2X2N2] (X = Br, I) up to 4.62(4) and 7.00(4) GPa for X-ray diffraction and 6.3(4) and 11.6(4) GPa for luminescence, respectively. An exhaustive study of compressibility has been completed by means of determination of the isothermal equations of state and structural changes with pressure at room temperature, giving bulk moduli of K0 = 14.4(5) GPa and K′0 = 7.7(6) for the bromide compound and K0 = 13.0(2) GPa and K′0 = 7.4(2) for the iodide compound. Both cases exhibited a phase transition of second order around 3.3 GPa that was also detected in luminescence experiments under the same high-pressure conditions, wherein redshifts of the emission bands with increasing pressure were observed due to shortening of the Cu–Cu distances. Additionally, ab initio studies were carried out which confirmed the results obtained experimentally, although unfortunately, the phase transition was not predicted.

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Crystal structure of di-μ-iodido-bis[bis(acetonitrile-κN)copper(I)]

Cited by 3 publications

References 11 publications

Out with Acetonitrile: Water-Assisted Accelerated-Aging Synthesis of CuI-Pyrazine Hybrid Materials

Out with Acetonitrile: Water-Assisted Accelerated-Aging Synthesis of CuI-Pyrazine Hybrid Materials

Evaluating Coordinative Binding Mechanisms through Experimental and Computational Studies of Methoxy‐Substituted Arylazothioformamide Copper(I) Complexes

Structural and Luminescence Properties of Cu(I)X-Quinoxaline under High Pressure (X = Br, I)

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