2023 New's Items

ChatGPT Research Group for Optimizing the Crystallinity of MOFs and COFs

Zheng Z
Yaghi OM
2023

We leveraged the power of ChatGPT and Bayesian optimization in the development of a multi-AI-driven system, backed by seven large language model-based assistants and equipped with machine learning algorithms, that seamlessly orchestrates a multitude of research aspects in a chemistry laboratory (termed the ChatGPT Research Group). Our approach accelerated the discovery of optimal microwave synthesis conditions, enhancing the crystallinity of MOF-321, MOF-322, and COF-323 and achieving the desired porosity and water capacity. In this system, human researchers gained assistance from...

Directing Molecular Weaving of Covalent Organic Frameworks and Their Dimensionality by Angular Control

Han X
Yaghi OM
2023

Although reticular chemistry has commonly utilized mutually embracing tetrahedral metal complexes as crossing points to generate three-dimensional molecularly woven structures, weaving in two dimensions remains largely unexplored. We report a new strategy to access 2D woven COFs by controlling the angle of the usually linear linker, resulting in the successful synthesis of a 2D woven pattern based on chain-link fence. The synthesis was accomplished by linking aldehyde-functionalized copper(I) bisphenanthroline complexes with bent 4,4′-oxydianiline building units. This results in the...

Harvesting Water in the Classroom

Neumann SE
Yaghi OM
2023

Educational content is consistently adapted to enhance the learning experience of students at all experience and skill levels. Student motivation and accessibility are key factors in teaching science to a broad audience. The presented experiments engage the students by relating the content to that which is immediately relevant to them: the threat of global water scarcity. Through a series of experiments, students discover a potential solution employing metal–organic frameworks (MOFs), porous materials capable of harvesting water from the atmosphere, even at low relative humidity. To...

Molecular weaving of chicken-wire covalent organic frameworks

Han X
Yaghi OM
2023

Molecular weaving is the interlacing of covalently linked threads to make extended structures. Although weaving based on 3D networks has been reported, the 2D forms remain largely unexplored. Reticular chemistry uses mutually embracing tetrahedral metal complexes as crossing points, which, when linked, typically lead to 3D woven structures. Realizing 2D weaving patterns requires crossing points with an overall planar geometry. We show that polynuclear helicates composed of multiple metal-complex units, and therefore multiple turns, are well suited in this regard. By reticulating...

A GPT-4 Reticular Chemist for Guiding MOF Discovery

Zheng Z
Yaghi OM
2023

We present a new framework integrating the AI model GPT-4 into the iterative process of reticular chemistry experimentation, leveraging a cooperative workflow of interaction between AI and a human researcher. This GPT-4 Reticular Chemist is an integrated system composed of three phases. Each of these utilizes GPT-4 in various capacities, wherein GPT-4 provides detailed instructions for chemical experimentation and the human provides feedback on the experimental outcomes, including both success and failures, for the in-context learning of AI in the next iteration. This iterative human...

ChatGPT Chemistry Assistant for Text Mining and the Prediction of MOF Synthesis

Zheng Z
Yaghi OM
2023

We use prompt engineering to guide ChatGPT in the automation of text mining of metal–organic framework (MOF) synthesis conditions from diverse formats and styles of the scientific literature. This effectively mitigates ChatGPT’s tendency to hallucinate information, an issue that previously made the use of large language models (LLMs) in scientific fields challenging. Our approach involves the development of a workflow implementing three different processes for text mining, programmed by ChatGPT itself. All of them enable parsing, searching, filtering, classification, summarization,...

A Porous Crystalline Nitrone-Linked Covalent Organic Framework

Kurandina D
Yaghi OM
2023

Herein, we report the synthesis of a nitrone-linked covalent organic framework, COF-115, by combining N, N′, N′, N′′′-(ethene-1, 1, 2, 2-tetrayltetrakis(benzene-4, 1-diyl))tetrakis(hydroxylamine) and terephthaladehyde via a polycondensation reaction. The formation of the nitrone functionality was confirmed by solid-state 13C multi cross-polarization magic angle spinning NMR spectroscopy of the 13C-isotope-labeled COF-115 and Fourier-transform infrared spectroscopy. The permanent...

MOF water harvester produces water from Death Valley desert air in ambient sunlight

Song W
Yaghi OM
2023

Sorbent-assisted atmospheric water harvesting has emerged as a promising method to mitigate water stresses in arid climates. Here a new water harvester based on metal–organic frameworks (MOFs) has been designed, constructed and tested in two locations in California (Death Valley National Park and Berkeley). This water harvester is capable of harvesting water at a capacity of 210 and 285 g H2O per kilogram of MOF-303 per day, respectively. The unique configuration of the MOF cartridge and the condenser in the harvester allows the highest efficiency of water...

Water Harvesting at the Single-Crystal Level

Fuchs A
Ploetz E
Yaghi OM
2023

Metal–organic frameworks (MOFs) have emerged as a class of porous materials with facile uptake and release of water, turning them into excellent substrates for real-world atmospheric water harvesting applications. The performance of different MOF systems was experimentally characterized at the bulk level by assessing the total amount of water taken up and the release kinetics, leaving the question behind of what the upper limit of the pristine materials actually is. Moreover, recent devices rely on fluidized bed reactors that exploit the harvesting capacities of MOFs at the single-...

Green Synthesis and Scale-Up of MOFs for Water Harvesting from Air

Zheng Z
Alawadhi AH
Yaghi OM
2023

The synthetic scalability of water harvesting metal–organic frameworks (MOFs) is crucial for making these promising materials accessible and widely available for use in household devices. Herein, we present a facile, sustainable, and high-yield synthesis method to produce a series of water-harvesting MOFs, including MOF-303, CAU-23, MIL-160, MOF-313, CAU-10, and Al-fumarate. Using readily available reactants and water as the only solvent, we were able to synthesize these materials at the kilogram scale in a 200 L batch reactor with yields of 84–96% and space-time yields of 238–305 kg...