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Calix-Like Metal-Organic Complex for High-Sensitivity X-Ray-Induced Photochromism.

ABSTRACT: Metal-organic complexes (MOCs) as promising candidates for directly visual X-ray detection at room temperature are rare and discovered unexpectedly, even though every crystalline material needs X-ray diffraction studies. Here, we report a rational strategy of mimicking host-guest system for developing high-sensitive X-ray-induced photochromic materials. Two resulting calix-like metal-organic complexes (cMOC-1 and cMOC-2) were prepared by encapsulating the electron-capturing "guest" into the cavity of calix-like electron-donating "host." One of them (cMOC-1) achieves instantaneous X-ray-induced photochromism and easy recovery by synergizing the aprotic matrix of MOC and similar host-guest interaction. Their strikingly different response to X-ray irradiation resulting from the structural difference demonstrates the feasibility and acceptability of our design strategy. This strategy may open new perspectives for developing high-performance photo-responsive functional materials.

SUBMITTER: Zhang H

PROVIDER: S-EPMC5063167 | biostudies-literature | 2016 Apr

REPOSITORIES: biostudies-literature

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Calix-Like Metal-Organic Complex for High-Sensitivity X-Ray-Induced Photochromism.

Zhang Hao H Wu Xintao X

Advanced science (Weinheim, Baden-Wurttemberg, Germany) 20151119 4

Metal-organic complexes (MOCs) as promising candidates for directly visual X-ray detection at room temperature are rare and discovered unexpectedly, even though every crystalline material needs X-ray diffraction studies. Here, we report a rational strategy of mimicking host-guest system for developing high-sensitive X-ray-induced photochromic materials. Two resulting calix-like metal-organic complexes (cMOC-1 and cMOC-2) were prepared by encapsulating the electron-capturing "guest" into the cavi ...[more]

PMID: 27774396

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Project description:Ethylene dimerization is an efficient industrial chemical process to produce 1-butene, with demanding selectivity and activity requirements on new catalytic systems. Herein, a series of monodentate phosphinoamine-nickel complexes immobilized on UiO-66 are described for ethylene dimerization. These catalysts display extensive molecular tunability of the ligand similar to organometallic catalysis, while maintaining the high stability attributed to the metal-organic framework (MOF) scaffold. The highly flexible postsynthetic modification method enables this study to prepare MOFs functionalized with five different substituted phosphines and 3 N-containing ligands and identify the optimal catalyst UiO-66-L5-NiCl2 with isopropyl substituted nickel mono-phosphinoamine complex. This catalyst shows a remarkable activity and selectivity with a TOF of 29 000 (molethyl/molNi/h) and 99% selectivity for 1-butene under ethylene pressure of 15 bar. The catalyst is also applicable for continuous production in the packed column micro-reactor with a TON of 72 000 (molethyl/molNi). The mechanistic insight for the ethylene oligomerization has been examined by density functional theory (DFT) calculations. The calculated energy profiles for homogeneous complexes and truncated MOF models reveal varying rate-determining step as β-hydrogen elimination and migratory insertion, respectively. The activation barrier of UiO-66-L5-NiCl2 is lower than other systems, possibly due to the restriction effect caused by clusters and ligands. A comprehensive analysis of the structural parameters of catalysts shows that the cone angle as steric descriptor and butene desorption energy as thermodynamic descriptor can be applied to estimate the reactivity turnover frequency (TOF) with the optimum for UiO-66-L5-NiCl2. This work represents the systematic optimization of ligand effect through combination of experimental and theoretical data and presents a proof-of-concept for ethylene dimerization catalyst through simple heterogenization of organometallic catalyst on MOF.

Dataset Information

Calix-Like Metal-Organic Complex for High-Sensitivity X-Ray-Induced Photochromism.

Publications

Calix-Like Metal-Organic Complex for High-Sensitivity X-Ray-Induced Photochromism.

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