Luminescent Functional Metal–Organic Frameworks

Synthesis of metal-organic frameworks (MOFs): routes to various MOF topologies, morphologies, and composites.

介绍了Kirk—Othmer Encyclopedia of Chemical Technology（化工技术百科全书）（第五版）电子图书网络版数据库，并对该数据库使用方法和检索途径作出了说明，且结合实例简单地介绍了该数据库的检索方法。

Kirk-Othmer Encyclopedia of Chemical Technology数据库介绍及实例

The halogen bond occurs when there is evidence of a net attractive interaction between an electrophilic region associated with a halogen atom in a molecular entity and a nucleophilic region in another, or the same, molecular entity. In this fairly extensive review, after a brief history of the interaction, we will provide the reader with a snapshot of where the research on the halogen bond is now, and, perhaps, where it is going. The specific advantages brought up by a design based on the use of the halogen bond will be demonstrated in quite different fields spanning from material sciences to biomolecular recognition and drug design.

The Halogen Bond

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Metal–Organic Frameworks and Self-Assembled Supramolecular Coordination Complexes: Comparing and Contrasting the Design, Synthesis, and Functionality of Metal–Organic Materials

Magnetic relaxation in Mn12-methanoate molecular magnet

The first application of mechanochemistry to conduct the synthesis of sulfonyl-(thio)ureas (III), (VI), and (X), including antidiabetic drugs tolbutamide, chlorpropamide (VIa) and glibenclamide (X) by either stoichiometric base-assisted or Cu-catalyzed coupling of sulfonamides and iso(thio)cyanates, is reported.

Mechanosynthesis of Pharmaceutically Relevant Sulfonyl‐(thio)ureas.

First-principles crystal structure prediction (CSP) is the most powerful approach for materials discovery, enabling the prediction and evaluation of properties of new solid phases based only on a diagram of their underlying components. Here, we present the first CSP-based discovery of metal–organic frameworks (MOFs), offering a broader alternative to conventional techniques, which rely on geometry, intuition, and experimental screening. Phase landscapes were calculated for three systems involving flexible Cu(II) nodes, which could adopt a potentially limitless number of network topologies and are not amenable to conventional MOF design. The CSP procedure was validated experimentally through the synthesis of materials whose structures perfectly matched those found among the lowest-energy calculated structures and whose relevant properties, such as combustion energies, could immediately be evaluated from CSP-derived structures.

https://chemrxiv.org/engage/api-gateway/chemrxiv/assets/orp/resource/item/62b99d855983a9ad63713190/original/experimentally-validated-ab-initio-crystal-structure-prediction-of-novel-metal-organic-framework-materials.pdf

Experimentally Validated Ab Initio Crystal Structure Prediction of Novel Metal–Organic Framework Materials

Mechanochemically Enhanced Organic Transformations

Graphitic phosphorus‐linked triazine networks (g‐PCNs) are an emergent class of carbon nitride materials that have attracted attention for their potential role in developing metal‐free water splitting photocatalysts, but remain difficult to access due to complicated synthetic procedures based on long reaction times, high‐temperature annealing (above 500 °C), and poor structural understanding. Here, a mild, lower temperature approach for the synthesis of catalytically active g‐PCN through combining a room‐temperature mechanochemical reaction of sodium phosphide and cyanuric chloride with only 1 h annealing at 300 °C is presented. Notably, this mechanosynthesized material is sufficiently ordered to permit unprecedented structural characterization of a g‐PCN layered solid by combining solid‐state magic angle spinning, nuclear magnetic resonance spectroscopy, X‐ray photoelectron spectroscopy, powder X‐ray diffraction (PXRD), and transmission electron microscopy, supported by dispersion‐corrected density functional theory modeling. The excellent match of experimental 31P MAS NMR and PXRD data with modeling of the structure based on phosphorus‐linked triazine network layers makes the herein described mechanochemically synthesized material the first example of a photocatalytically active, as well as structurally characterized, g‐PCN.

Tomislav Friščić

Papers

Magnetic relaxation in Mn12-methanoate molecular magnet

Mechanosynthesis of Pharmaceutically Relevant Sulfonyl‐(thio)ureas.

Experimentally Validated Ab Initio Crystal Structure Prediction of Novel Metal–Organic Framework Materials

Mechanochemically Enhanced Organic Transformations

Mechanosynthesis of a Structurally Characterized, Well‐Defined Graphitic Phosphorus‐Linked Carbon Nitride (g‐PCN) with Water Splitting Activity