Article
Chemistry, Multidisciplinary
Inigo Martinez-Visus, Matias Ulcuango, Beatriz Zornoza, Joaquin Coronas, Carlos Tellez
Summary: Three synthesis procedures for the covalent-organic framework (COF) TpPa-1 were studied to find a faster and more environmentally friendly method. Microwave radiation shortened reaction times to 30 minutes while maintaining the structure and obtaining high yields. Water-assisted mechanochemical synthesis also achieved high crystallinity and yield for TpPa-1.
CHEMISTRY-A EUROPEAN JOURNAL
(2023)
Article
Chemistry, Multidisciplinary
Qiu-Hong Zhu, Guo-Hao Zhang, Lei Zhang, Shuang-Long Wang, Jie Fu, Yuan-Hao Wang, Lijian Ma, Ling He, Guo-Hong Tao
Summary: Based on the dynamic feature of imine formation, we propose a solvent-responsive strategy for smart switching between an amorphous ionic polyimine membrane and a crystalline organic molecule cage without the addition of other building blocks. The aldehyde and amine components undergo self-correction to form a polymer network or a molecular cage to adapt to solvent environmental constraints. This work builds a bridge between the polymer network and crystalline molecules and offers prospects for smart dynamic materials.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
(2023)
Article
Chemistry, Multidisciplinary
Josephine F. Smernik, Pol Gimeno-Fonquernie, Jorge Albalad, Tyla S. Jones, Rosemary J. Young, Neil R. Champness, Christian J. Doonan, Jack D. Evans, Christopher J. Sumby
Summary: This study investigates the synthesis of Mn-based metal-organic frameworks (MOFs), finding that MnMOF-1 is a kinetic or metastable phase, while a newly identified 2D layered material, MnMOF-2D, is the thermodynamically favored product. It is also shown that using longer linkers can help to form more stable structures. In addition, two new porous 3D Mn-based MOFs were successfully synthesized, highlighting the viability of using tetratopic hinged linkers to form 3D MOFs.
Article
Chemistry, Multidisciplinary
Zhihui Zhang, Chengwei Zhang, Yutao Zhang, Shengwei Deng, Yun-Fang Yang, An Su, Yuan-Bin She
Summary: Porphyrin-based MOFs combine the unique photophysical and electrochemical properties of metalloporphyrins with the catalytic efficiency of MOF materials, making them an important candidate for light energy harvesting and conversion. However, accurate prediction of the band gap of porphyrin-based MOFs is hampered by their complex structure-function relationships. In this study, a dataset of 202 porphyrin-based MOFs was constructed using DFT computations and increased training data size using data augmentation strategies. Four state-of-the-art neural network models pre-trained with QMOF and fine-tuned with augmented self-curated datasets predicted the band gaps of porphyrin-based materials with low RMSE and MAE. Additionally, rotation and mirroring data augmentation strategies effectively decreased the RMSE by 38.51% and MAE by 50.05%.
Article
Chemistry, Multidisciplinary
Zaoming Wang, Christian Villa Santos, Alexandre Legrand, Frederik Haase, Yosuke Hara, Kazuyoshi Kanamori, Takuma Aoyama, Kenji Urayama, Cara M. Doherty, Glen J. Smales, Brian R. Pauw, Yamil J. Colon, Shuhei Furukawa
Summary: The study demonstrates that aging is an effective strategy to control the hierarchical network of supramolecular gels, allowing tuning of the linked MOP gel network over multiple length scales. This provides an opportunity to engineer the structure and permanent porosity of amorphous materials for further applications.
Article
Multidisciplinary Sciences
Dawid Marcinkowski, Maciej Kubicki, Giuseppe Consiglio, Zbigniew Hnatejko, Anna M. Majcher-Fitas, Robert Podgajny, Violetta Patroniak, Adam Gorczynski
Summary: This study demonstrates the structural diversity of the bis-compartmental phenoxo-benzimidazole ligand H3L1 in self-assembly processes, and shows how factors such as pH, solvent, and reaction conditions can control the formation of mono-, bi-, or tetrametallic architectures. The study also reveals the influence of the ligand form on the final supramolecular architecture and observed properties, providing a theoretical basis for future design of more sophisticated structures.
SCIENTIFIC REPORTS
(2023)
Article
Chemistry, Multidisciplinary
Petru Apostol, Sai Manoj Gali, Alice Su, Da Tie, Yan Zhang, Shubhadeep Pal, Xiaodong Lin, Vasudeva Rao Bakuru, Darsi Rambabu, David Beljonne, Mircea Dinca, Alexandru Vlad
Summary: Two-dimensional electrically conducting metal-organic frameworks (2D-e-MOFs) are a promising class of functional materials with various applications. This study reports two isostructural 2D-e-MOFs that can be chemically functionalized and exhibit temperature-activated charge transport.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
(2023)
Article
Chemistry, Multidisciplinary
Zhiling Zheng, Oufan Zhang, Ha L. Nguyen, Nakul Rampal, Ali H. Alawadhi, Zichao Rong, Teresa Head-Gordon, Christian Borgs, Jennifer T. Chayes, Omar M. Yaghi
Summary: By leveraging the power of ChatGPT and Bayesian optimization, we developed a multi-AI-driven system that supports various research activities in a chemistry laboratory. Through collaboration with AI assistants, human researchers achieved enhanced productivity and precise determination of optimal synthesis conditions. This work is a promising proof of concept for the AI-driven revolution in chemistry laboratories.
ACS CENTRAL SCIENCE
(2023)
Article
Chemistry, Multidisciplinary
Ana Martinez-Martinez, Esther Resines-Urien, Nicholas S. Settineri, Simon J. Teat, E. Carolina Sanudo, Oscar Fabelo, Jose Alberto Rodriguez-Velamazan, Lucia Pineiro-Lopez, Jose Sanchez Costa
Summary: Spin crossover (SCO) complexes can switch between two electronic states in response to various stimuli. Coordination complexes can assemble into coordination polymers or Metal-Organic Frameworks (MOFs) with selective binding capabilities. Three new SCO Hofmann-clathrate-like structures were synthesized to validate the inclusion of potential receptor groups in 3D SCO MOFs, including an organic ligand DPBz-Est (Inorg. Chem. 2013, 52, 4205), enabling potential postsynthetic modification.
CRYSTAL GROWTH & DESIGN
(2023)
Article
Chemistry, Inorganic & Nuclear
Andressa Lunardi, Tanize Bortolotto, Camila Nunes Cechin, Natalia de Freitas Daudt, Melina de Azevedo Mello, Sailer S. dos Santos, Roberta Cargnelutti, Ernesto Schulz Lang, Barbara Tirloni
Summary: This study synthesized two novel coordination polymers and immobilized them onto TiO2 for photocatalytic hydrogen production. Among them, compound 1 exhibited promising catalytic activity and was considered as a promising TiO2 photosensitizer.
DALTON TRANSACTIONS
(2023)
Article
Chemistry, Physical
Robert Stanton, Dhara J. Trivedi
Summary: The study examined the impact of defects and choice of metal centers in metal-organic frameworks on the binding characteristics of phosphate species, revealing a clear preference for the bidentate binding mode and a trend in binding strength of phosphate anions to Hf > Zr > Ce metal nodes.
CHEMISTRY OF MATERIALS
(2021)
Article
Chemistry, Inorganic & Nuclear
Despoina Andriotou, Sylvain Duval, Christophe Volkringer, Angel M. Arevalo-Lopez, Pardis Simon, Herve Vezin, Thierry Loiseau
Summary: The reactivity of 2,3-pyridine-dicarboxylic acid and 2,5-pyridine-dicarboxylic acid as complexing agents towards the niobium(IV) tetrachloride precursor has been investigated, resulting in the isolation of four crystalline coordination complexes. The complexes exhibit stable coordination structures formed by the interaction between the ligands and the niobium(IV) center.
INORGANIC CHEMISTRY
(2022)
Article
Chemistry, Inorganic & Nuclear
Despoina Andriotou, Sylvain Duval, Christophe Volkringer, Angel M. Arevalo-Lopez, Pardis Simon, Herve Vezin, Thierry Loiseau
Summary: The reactivity of 2,3-pyridine-dicarboxylic and 2,5-pyridine-dicarboxylic acids as ligands towards the niobium(IV) tetrachloride precursor was studied, resulting in the formation of four crystalline mononuclear coordination complexes with different molecular arrangements. Each complex showed an eightfold coordination of the niobium(IV) center and exhibited unique structural characteristics. Magnetic measurements, EPR and XPS were used to analyze the d(1) configuration of the niobium(IV) centers, revealing an anti-ferromagnetism transition at very low temperatures for certain complexes.
INORGANIC CHEMISTRY
(2022)
Article
Geology
Drew D. Syverson, Adedapo N. Awolayo, Benjamin M. Tutolo
Summary: The circulation of fluids in the mid-ocean ridge system of Earth has significant effects on the oceanic crust and the formation of metal-sulfide deposits. This study introduces a new technique to estimate the characteristics of these fluids at high subseafloor pressure and temperature conditions, as well as their impact on metal and sulfur delivery to the ocean. The results indicate a strong relationship between seafloor spreading rate and subseafloor heat loss and sulfide mineralization, highlighting the long-term impact of the mid-ocean ridge system on sulfide deposition rates and hydrothermal fluxes.
Article
Chemistry, Multidisciplinary
Tobias Schnitzer, Eno Paenurk, Nils Trapp, Renana Gershoni-Poranne, Helma Wennemers
Summary: Despite the challenges in forming networks from peptidic ligands, a peptide-metal framework consisting of helical oligoproline ligands and Zn/K (or Zn/Rb) has been successfully created in this study. The crystal network contains pleated nanosheets with metal ions aligned in strings, with the unique architecture derived from under-appreciated London dispersion interactions between the ligands. The secondary structure of the peptidic ligand plays an important role in the creation of new MOF architectures.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
(2021)
