Chemistry methods : new approaches to solving problems in chemistry最新文献

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ChemPrice, a Python Package for Automated Chemical Price Search ChemPrice,一个用于自动化工价格搜索的Python包
IF 6.1
Chemistry methods : new approaches to solving problems in chemistry Pub Date : 2024-11-19 DOI: 10.1002/cmtd.202400005
Dr. Murat Cihan Sorkun, Baptiste Saliou, Dr. Süleyman Er
{"title":"ChemPrice, a Python Package for Automated Chemical Price Search","authors":"Dr. Murat Cihan Sorkun,&nbsp;Baptiste Saliou,&nbsp;Dr. Süleyman Er","doi":"10.1002/cmtd.202400005","DOIUrl":"https://doi.org/10.1002/cmtd.202400005","url":null,"abstract":"<p>The open-access movement in chemistry has led to a surge in publicly accessible data repositories such as PubChem and ChemSpider, housing more than 100 million chemical compounds. These repositories are invaluable for large-scale virtual screening but lack crucial pricing information, a vital economic aspect influencing commercial decisions. Currently, these databases merely provide hyperlinks to vendor websites for pricing details, necessitating manual exploration due to the diverse structures of vendor websites, making automated data extraction impractical. To tackle this challenge, we introduce ChemPrice, a Python package that streamlines the collection of pricing data through the integration of ChemSpace, Mcule, and Molport platforms that provide up-to-date price information from over 100 suppliers. ChemPrice standardizes pricing units, offering consolidated and best-pricing information for specified compounds. Its modular design facilitates integration into automated virtual screening workflows, and a user-friendly web interface caters to those with limited coding skills, enabling easy compound list uploading and pricing data retrieval. This innovation addresses the complexity of collecting compound prices and enables integration into the virtual screening code workflows, providing a valuable resource for a wide community of users seeking comprehensive and up-to-date pricing information to enhance their decision-making processes.</p>","PeriodicalId":72562,"journal":{"name":"Chemistry methods : new approaches to solving problems in chemistry","volume":"5 2","pages":""},"PeriodicalIF":6.1,"publicationDate":"2024-11-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://onlinelibrary.wiley.com/doi/epdf/10.1002/cmtd.202400005","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143380911","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
In situ X-Ray Powder Diffraction Investigation on the Development of Zeolite-Templated Carbons in FAU Zeolite 关于 FAU 沸石中沸石模板碳发展的原位 X 射线粉末衍射研究
IF 6.1
Chemistry methods : new approaches to solving problems in chemistry Pub Date : 2024-11-15 DOI: 10.1002/cmtd.202400018
Dr. Thibaud Aumond, Dr. Martin Esteves, Dr. Cristian Mocuta, Dr. Isabelle Batonneau-Gener, Dr. Julien Haines, Dr. Ricardo Faccio, Dr. Alexander Sachse
{"title":"In situ X-Ray Powder Diffraction Investigation on the Development of Zeolite-Templated Carbons in FAU Zeolite","authors":"Dr. Thibaud Aumond,&nbsp;Dr. Martin Esteves,&nbsp;Dr. Cristian Mocuta,&nbsp;Dr. Isabelle Batonneau-Gener,&nbsp;Dr. Julien Haines,&nbsp;Dr. Ricardo Faccio,&nbsp;Dr. Alexander Sachse","doi":"10.1002/cmtd.202400018","DOIUrl":"https://doi.org/10.1002/cmtd.202400018","url":null,"abstract":"<p>A time resolved <i>in situ</i> X-ray powder diffraction study using synchrotron radiation allowed for describing the evolution of the zeolite <b>FAU</b> structure during the development of a zeolite-templated carbon (ZTC) in its porous voids. During the ZTC formation the intensity decrease of most zeolite reflections and the simultaneous rise in intensity of the 222 reflection (of null intensity in the pristine zeolite) was observed. Full pattern profile fitting by Rietveld refinement allowed for achieving a detailed description of the underlying chemistry, with coincident pore filling with carbon atoms in specific positions and framework distortion. Monitoring the intensity profiles of the 222 reflection allowed assessment of the energetics of the ZTC formation. Our results contribute to a better understanding of the phenomena involved on the atomic scale in ZTC synthesis.</p>","PeriodicalId":72562,"journal":{"name":"Chemistry methods : new approaches to solving problems in chemistry","volume":"4 12","pages":""},"PeriodicalIF":6.1,"publicationDate":"2024-11-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://onlinelibrary.wiley.com/doi/epdf/10.1002/cmtd.202400018","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142861565","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Determination of Sugar Concentrations in Aqueous Solution Using Multivariate Predictions Based on 1H-NMR Spectroscopy 基于1H-NMR光谱的多变量预测测定水溶液中的糖浓度
IF 6.1
Chemistry methods : new approaches to solving problems in chemistry Pub Date : 2024-11-15 DOI: 10.1002/cmtd.202400004
MSc. Kristoffer Mega Herdlevær, MSc. Kasper Strandengen, Assoc. Prof. Dr. Camilla Løhre, Prof. Dr. Tanja Barth
{"title":"Determination of Sugar Concentrations in Aqueous Solution Using Multivariate Predictions Based on 1H-NMR Spectroscopy","authors":"MSc. Kristoffer Mega Herdlevær,&nbsp;MSc. Kasper Strandengen,&nbsp;Assoc. Prof. Dr. Camilla Løhre,&nbsp;Prof. Dr. Tanja Barth","doi":"10.1002/cmtd.202400004","DOIUrl":"https://doi.org/10.1002/cmtd.202400004","url":null,"abstract":"<p>Renewable chemicals from carbohydrate-rich wastes, like furfural and 5-hydroxymethylfurfural (HMF), are gaining prominence as alternatives to petroleum-based resources. Assessing the suitability of biomass as feedstock for furfural and HMF production requires knowledge of its composition. This study focuses on developing and validating predictive models for individual sugar concentrations in hydrolysates using quantitative 1H NMR data. Utilizing partial least square (PLS) regression, the dataset includes 137 NMR spectra of multi-component sugar standards (arabinose, fructose, galactose, glucose, mannose, maltose, sucrose, and xylose). The best-performing model achieved an R<sup>2</sup> of 0.987–0.999 and RMSECV of 0.37–1.56 mM and is based on the non-overlapping area of the NMR spectrum. Real-world samples were used for validation, resulting in predicted sugar concentrations with a mean standard deviation of 0.5 mM. This high accuracy and streamlined analysis process make these models practical for quantifying large sample sets, showcasing the reliability and accessibility of extracting statistical information from H-NMR data.</p>","PeriodicalId":72562,"journal":{"name":"Chemistry methods : new approaches to solving problems in chemistry","volume":"5 1","pages":""},"PeriodicalIF":6.1,"publicationDate":"2024-11-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://onlinelibrary.wiley.com/doi/epdf/10.1002/cmtd.202400004","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143115170","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Towards Precision Biocatalysis – Leveraging Inline NMR for Autonomous Experimentation in Flow Reactors 迈向精密生物催化-利用内联核磁共振在流动反应器中的自主实验
IF 6.1
Chemistry methods : new approaches to solving problems in chemistry Pub Date : 2024-11-15 DOI: 10.1002/cmtd.202400049
Felix Ott, Dr. Gudrun Gygli, Dr. Kersten S. Rabe, Prof. Dr. Christof M. Niemeyer
{"title":"Towards Precision Biocatalysis – Leveraging Inline NMR for Autonomous Experimentation in Flow Reactors","authors":"Felix Ott,&nbsp;Dr. Gudrun Gygli,&nbsp;Dr. Kersten S. Rabe,&nbsp;Prof. Dr. Christof M. Niemeyer","doi":"10.1002/cmtd.202400049","DOIUrl":"https://doi.org/10.1002/cmtd.202400049","url":null,"abstract":"<p>Reactor automation is a transformative force for chemical processes, but the potential of reaction monitoring for machine-assisted autonomous biocatalytic reaction optimization is still largely unexplored. To address this gap, we report on automated reactor optimization for biocatalytic flow-through microreactors. For this purpose, the inline NMR analysis of an enzymatically catalyzed stereoselective reduction of a prochiral diketone was combined with a self-developed open-source analysis and control software. The algorithm is continuously fed with spectra from a benchtop NMR instrument acquired from a reaction solution from a microreactor filled with biocatalytically active materials and adjusts the flow rate of the pumps to achieve predetermined target concentrations of the product. We show that through this automated coupling of data analysis and process parameterization, for example, maximum conversion efficiency can be achieved for a given bioreactor. This work illustrates the potential of inline NMR reaction monitoring for biocatalytic processes and provides a starting point for innovation to develop automated processes for precision biocatalysis through integrated data analysis.</p>","PeriodicalId":72562,"journal":{"name":"Chemistry methods : new approaches to solving problems in chemistry","volume":"4 12","pages":""},"PeriodicalIF":6.1,"publicationDate":"2024-11-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://onlinelibrary.wiley.com/doi/epdf/10.1002/cmtd.202400049","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142851338","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Analysis of Macromolecular Size Distributions in Concentrated Solutions 浓溶液中大分子尺寸分布的分析
IF 6.1
Chemistry methods : new approaches to solving problems in chemistry Pub Date : 2024-11-12 DOI: 10.1002/cmtd.202400035
Dr. Sumit K. Chaturvedi, Dr. Peter Schuck
{"title":"Analysis of Macromolecular Size Distributions in Concentrated Solutions","authors":"Dr. Sumit K. Chaturvedi,&nbsp;Dr. Peter Schuck","doi":"10.1002/cmtd.202400035","DOIUrl":"https://doi.org/10.1002/cmtd.202400035","url":null,"abstract":"<p>The solution state of macromolecules in concentrated solutions impacts fields ranging from cell biology, to colloid chemistry and engineering of protein pharmaceuticals. Dependent on the interplay between repulsive and weakly attractive forces, proteins may exhibit oligomerization, aggregation, crystallization, liquid-liquid phase separation, or the formation of multiprotein complexes. The particle size-distribution is a key characteristic, but difficult to determine when interparticle distances are on the order of their size and macromolecular motion is coupled through hydrodynamic interactions. Here we extend sedimentation velocity analytical ultracentrifugation to measure macromolecular size distributions under these conditions: We apply results from statistical fluid mechanics for the concentration-dependence of hindered settling and diffusion, embedded in a mean-field approximation that can resolve coupled sedimentation and diffusion processes of different sized species given experimental sedimentation data. This is combined with a description of transient optical aberrations from lensing in the refractive index gradients associated with sedimentation boundaries (Wiener skewing). We demonstrate this approach in the application to protein solutions with macromolecular volume fractions up to ≈10 %, for example, resolving monomers and dimers of albumin at 140 mg/ml. This enables size-distribution analysis of proteins at concentrations of therapeutic antibody formations and close to physiological concentration in serum and cells.</p>","PeriodicalId":72562,"journal":{"name":"Chemistry methods : new approaches to solving problems in chemistry","volume":"4 12","pages":""},"PeriodicalIF":6.1,"publicationDate":"2024-11-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://onlinelibrary.wiley.com/doi/epdf/10.1002/cmtd.202400035","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142851468","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Cover Picture: Video Documented Upscaled Synthesis of Salts of the Parent Carbaborate Ion [CB11H12]−, its Undecafluorinated Form [CHB11F11]− and Useful Starting Materials for its Introduction (Chem. Methods 11/2024) 封面图片:通过视频记录硼酸根离子[CB11H12]-母体、其未十氟化形式[CHB11F11]-的盐类及其有用起始材料的放大合成(化学方法 11/2024)
IF 6.1
Chemistry methods : new approaches to solving problems in chemistry Pub Date : 2024-11-11 DOI: 10.1002/cmtd.202481101
Jan Kulenkampff, Christian Armbruster, Johanna Drolshagen, Celine Regnat, Tina Wienold, Luisa Spari, Jana Fix, Tabea Sterbak, Dr. Harald Scherer, Prof. Dr. Ingo Krossing
{"title":"Cover Picture: Video Documented Upscaled Synthesis of Salts of the Parent Carbaborate Ion [CB11H12]−, its Undecafluorinated Form [CHB11F11]− and Useful Starting Materials for its Introduction (Chem. Methods 11/2024)","authors":"Jan Kulenkampff,&nbsp;Christian Armbruster,&nbsp;Johanna Drolshagen,&nbsp;Celine Regnat,&nbsp;Tina Wienold,&nbsp;Luisa Spari,&nbsp;Jana Fix,&nbsp;Tabea Sterbak,&nbsp;Dr. Harald Scherer,&nbsp;Prof. Dr. Ingo Krossing","doi":"10.1002/cmtd.202481101","DOIUrl":"https://doi.org/10.1002/cmtd.202481101","url":null,"abstract":"<p><b>The Front Cover</b> shows the molecular structure of the undecafluorinated carbaborate anion [CHB<sub>11</sub>F<sub>11</sub>]<sup>−</sup>, as well as its precursor [CB<sub>11</sub>H<sub>12</sub>]<sup>−</sup> and the starting material [BH<sub>4</sub>]<sup>−</sup>. Detailed synthetic protocols for the synthesis of [CB<sub>11</sub>H<sub>12</sub>]<sup>−</sup> and [CHB<sub>11</sub>F<sub>11</sub>]<sup>−</sup> in large scales are provided by Ingo Krossing and co-workers in their Research Article. To facilitate the reproduction of the preparation of these compounds, the synthesis has been filmed and instructive videos are provided with the publication. Starting from the [CHB<sub>11</sub>F<sub>11</sub>]<sup>−</sup> anion, the authors tested its chemical properties and synthesized its trityl ([Ph<sub>3</sub>C]<sup>+</sup>) as well as its silver salt ([Ag(<i>o</i>dfb)<sub>2</sub>]<sup>+</sup>) and used them for a representative hydrosilylation reaction, as well as the oxidation of ferrocene and the ‘magic blue’ amine N(4-C<sub>6</sub>H<sub>4</sub>Br)<sub>3</sub>. More information can be found in the Research Article by I. Krossing and co-workers (DOI: 10.1002/cmtd.202400011).\u0000 <figure>\u0000 <div><picture>\u0000 <source></source></picture><p></p>\u0000 </div>\u0000 </figure>\u0000 </p>","PeriodicalId":72562,"journal":{"name":"Chemistry methods : new approaches to solving problems in chemistry","volume":"4 11","pages":""},"PeriodicalIF":6.1,"publicationDate":"2024-11-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://onlinelibrary.wiley.com/doi/epdf/10.1002/cmtd.202481101","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142665965","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Ingrown Leading to Hierarchical SAPO-34 with High Catalytic Activity 内生生成具有高催化活性的分层SAPO-34
IF 6.1
Chemistry methods : new approaches to solving problems in chemistry Pub Date : 2024-11-11 DOI: 10.1002/cmtd.202400027
Dr. Xuefeng Shen, Dr. Jiajia Ding, Dr. Yingchun Ye, Prof. Dr. Hongxing Liu, Prof. Dr. Zaiku Xie
{"title":"Ingrown Leading to Hierarchical SAPO-34 with High Catalytic Activity","authors":"Dr. Xuefeng Shen,&nbsp;Dr. Jiajia Ding,&nbsp;Dr. Yingchun Ye,&nbsp;Prof. Dr. Hongxing Liu,&nbsp;Prof. Dr. Zaiku Xie","doi":"10.1002/cmtd.202400027","DOIUrl":"https://doi.org/10.1002/cmtd.202400027","url":null,"abstract":"<p>Introduce meso/macro-pore to the crystal of SAPO-34 is an efficient way to overcome its inherent diffusion resistance. Porogen, formation hierarchical structure by inhibiting the growth of the crystals, would increase the costs of SAPO-34 and is usually not friendly to environment. In this work, an ingrowth route to synthesize hierarchical SAPO-34 is developed by secondary silica addition via hydrothermal method. Hierarchical porous SAPO-34 was synthesized without adding any pore-generating agent. Secondary silica addition put off the Si and P transferring from the mother liquid to gel phase, leading to the chemical composition of surface first meeting to the crystallization conditions. Then the crystallization started from the surface to the inside of the amorphous particles. The hierarchical SAPO-34 showed numerous meso/macro pore structure and weaker acid strength. So the hierarchical SAPO-34 showed better catalytic activity than the conventional SAPO-34 in MTO reaction.</p>","PeriodicalId":72562,"journal":{"name":"Chemistry methods : new approaches to solving problems in chemistry","volume":"5 2","pages":""},"PeriodicalIF":6.1,"publicationDate":"2024-11-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://onlinelibrary.wiley.com/doi/epdf/10.1002/cmtd.202400027","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143380485","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
13C-Labeling as a Method in Organic Synthesis, Catalysis and Biochemical Applications 13c标记在有机合成、催化和生化中的应用
IF 6.1
Chemistry methods : new approaches to solving problems in chemistry Pub Date : 2024-11-11 DOI: 10.1002/cmtd.202400045
Dr. Konstantin S. Rodygin, Dr. Alexander S. Bogachenkov, Dr. Yulia V. Gyrdymova, Anton N. Potorochenko
{"title":"13C-Labeling as a Method in Organic Synthesis, Catalysis and Biochemical Applications","authors":"Dr. Konstantin S. Rodygin,&nbsp;Dr. Alexander S. Bogachenkov,&nbsp;Dr. Yulia V. Gyrdymova,&nbsp;Anton N. Potorochenko","doi":"10.1002/cmtd.202400045","DOIUrl":"https://doi.org/10.1002/cmtd.202400045","url":null,"abstract":"<p>The incorporation of a labeled <sup>13</sup>C atom provides a plethora of opportunities in organic synthesis and catalysis. Structure of complicated compounds can be successfully confirmed using the precise location of a labeled carbon atom; a reaction mechanism can be supported by the presence or absence of a label in reaction products; metabolic pathways of biological compounds can be found out depending on labeled products; the concentration of analyzed labeled compounds can be significantly lower for recording and successful interpretation of NMR spectra, <i>etc</i>. This review aims to provide a researcher with common and promising strategies for the synthesis of labeled compounds so that a researcher can select an appropriate route to save valuable labeled material. All the labeling approaches were considered based on starting labeling source. Ideological aim of the review is to demonstrate the opportunities for label incorporation so that a researcher can find the improvements in his own topic using labeled compounds. Utilization of labeled compounds in catalysis and studying reaction mechanisms were also considered to demonstrate the capabilities of labeled compounds, which may be useful in specific tasks and applications. The potential of labeled compounds in bioactive compound metabolite analysis was demonstrated on selected examples.</p>","PeriodicalId":72562,"journal":{"name":"Chemistry methods : new approaches to solving problems in chemistry","volume":"5 1","pages":""},"PeriodicalIF":6.1,"publicationDate":"2024-11-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://onlinelibrary.wiley.com/doi/epdf/10.1002/cmtd.202400045","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143114278","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Direct Spectroscopic Confirmation of the Oxygen-Centered Diradical Character of the Tetraoxidorhenium(VII) Cation [Re(O)4]+ 四氧化铈(VII)阳离子[Re(O)4]+氧中心双自由基性质的直接光谱证实
IF 6.1
Chemistry methods : new approaches to solving problems in chemistry Pub Date : 2024-10-25 DOI: 10.1002/cmtd.202400023
Mayara da Silva Santos, Dr. Robert Medel, Simon Kruse, Max Flach, Olesya S. Ablyasova, Martin Timm, Prof. Dr. Bernd von Issendorff, Dr. Konstantin Hirsch, Dr. Vicente Zamudio-Bayer, Prof. Dr. Sebastian Riedel, Prof. Dr. J. Tobias Lau
{"title":"Direct Spectroscopic Confirmation of the Oxygen-Centered Diradical Character of the Tetraoxidorhenium(VII) Cation [Re(O)4]+","authors":"Mayara da Silva Santos,&nbsp;Dr. Robert Medel,&nbsp;Simon Kruse,&nbsp;Max Flach,&nbsp;Olesya S. Ablyasova,&nbsp;Martin Timm,&nbsp;Prof. Dr. Bernd von Issendorff,&nbsp;Dr. Konstantin Hirsch,&nbsp;Dr. Vicente Zamudio-Bayer,&nbsp;Prof. Dr. Sebastian Riedel,&nbsp;Prof. Dr. J. Tobias Lau","doi":"10.1002/cmtd.202400023","DOIUrl":"https://doi.org/10.1002/cmtd.202400023","url":null,"abstract":"<p>Mononuclear inorganic diradical species are scarce. Here, we confirm, via X-ray absorption spectroscopy in the gas phase combined with computational studies, the oxygen-centered diradical character of the tetraoxidorhenium(VII) cation. A dioxido-superoxido isomer, close in energy to the diradical, is also found, where rhenium appears in its rare oxidation state of +6. Addition of one or two hydrogen atoms to [Re,O<sub>4</sub>]<sup>+</sup> forms hydroxido ligands, and strongly disfavors isomers with any oxygen-oxygen bond. This adds spectroscopic characterization of the rhenium oxidation state and the nature of ligands to the known ability of [Re,O<sub>4</sub>]<sup>+</sup> to perform two consecutive hydrogen-atom abstraction reactions from methane, and demonstrates that pentaatomic [Re,O<sub>4</sub>]<sup>+</sup> combines a metal center in its highest oxidation state with two oxygen-centered radical ligands in a highly reactive species.</p>","PeriodicalId":72562,"journal":{"name":"Chemistry methods : new approaches to solving problems in chemistry","volume":"4 12","pages":""},"PeriodicalIF":6.1,"publicationDate":"2024-10-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://onlinelibrary.wiley.com/doi/epdf/10.1002/cmtd.202400023","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142851578","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Video Documented Upscaled Synthesis of Salts of the Parent Carbaborate Ion [CB11H12]−, its Undecafluorinated Form [CHB11F11]− and Useful Starting Materials for its Introduction 通过视频记录硼酸根离子[CB11H12]-母盐、其未十氟化形式[CHB11F11]-及其有用起始材料的放大合成过程
IF 6.1
Chemistry methods : new approaches to solving problems in chemistry Pub Date : 2024-10-21 DOI: 10.1002/cmtd.202400011
Jan Kulenkampff, Christian Armbruster, Johanna Drolshagen, Celine Regnat, Tina Wienold, Luisa Spari, Jana Fix, Tabea Sterbak, Dr. Harald Scherer, Prof. Dr. Ingo Krossing
{"title":"Video Documented Upscaled Synthesis of Salts of the Parent Carbaborate Ion [CB11H12]−, its Undecafluorinated Form [CHB11F11]− and Useful Starting Materials for its Introduction","authors":"Jan Kulenkampff,&nbsp;Christian Armbruster,&nbsp;Johanna Drolshagen,&nbsp;Celine Regnat,&nbsp;Tina Wienold,&nbsp;Luisa Spari,&nbsp;Jana Fix,&nbsp;Tabea Sterbak,&nbsp;Dr. Harald Scherer,&nbsp;Prof. Dr. Ingo Krossing","doi":"10.1002/cmtd.202400011","DOIUrl":"https://doi.org/10.1002/cmtd.202400011","url":null,"abstract":"<p>In this work, we present our improved protocols for the single batch syntheses of approximately 32 g of [NHMe<sub>3</sub>][CB<sub>11</sub>H<sub>12</sub>] and 10 g of Na[CHB<sub>11</sub>F<sub>11</sub>] as well as salt metathesis reactions, granting access to useful starting materials to introduce the [CHB<sub>11</sub>F<sub>11</sub>]<sup>−</sup> anion. This includes the trityl cation [Ph<sub>3</sub>C]<sup>+</sup> and the bis-1,2-difluorobenzene-silver(I)-complex [Ag(<i>o</i>dfb)<sub>2</sub>]<sup>+</sup>, as well as some applications of the shown compounds. The described methodology allows the synthesis of large amounts of both the [CB<sub>11</sub>H<sub>12</sub>]<sup>−</sup> and the [CHB<sub>11</sub>F<sub>11</sub>]<sup>−</sup> anion and therefore making them accessible for further reactions. To facilitate the reproducibility, we present video tutorials of the synthetic steps towards Na[CHB<sub>11</sub>F<sub>11</sub>].</p>","PeriodicalId":72562,"journal":{"name":"Chemistry methods : new approaches to solving problems in chemistry","volume":"4 11","pages":""},"PeriodicalIF":6.1,"publicationDate":"2024-10-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://onlinelibrary.wiley.com/doi/epdf/10.1002/cmtd.202400011","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142666104","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
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