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Direct 2,2,2-Trifluoro and 2,2-Difluoroethoxylation of a Model Macrocyclic Ar−H Substrate via Ni-Catalysis 通过镍催化实现模型大环 Ar-H 底物的 2,2,2-Trifluoro 和 2,2-Difluoroethoxylation 直接反应
ChemistryEurope Pub Date : 2024-08-13 DOI: 10.1002/ceur.202400023
Lorena Capdevila, Max T. G. M. Derks, Marc Montilla, Josep M. Luis, Jana Roithová, Xavi Ribas
{"title":"Direct 2,2,2-Trifluoro and 2,2-Difluoroethoxylation of a Model Macrocyclic Ar−H Substrate via Ni-Catalysis","authors":"Lorena Capdevila,&nbsp;Max T. G. M. Derks,&nbsp;Marc Montilla,&nbsp;Josep M. Luis,&nbsp;Jana Roithová,&nbsp;Xavi Ribas","doi":"10.1002/ceur.202400023","DOIUrl":"https://doi.org/10.1002/ceur.202400023","url":null,"abstract":"<p>Herein, we describe the trifluoro- and difluoroethoxylation of C(sp<sup>2</sup>)-H bonds using nickel(II) complexes incorporating a model macrocyclic arene substrate. Due to the coordinative properties of the macrocyclic substrate, we were able to detect and characterize the just-formed C(sp<sup>2</sup>)−OCH<sub>2</sub>CF<sub>3</sub>−Ni(II) species by HRMS and IRPD. DFT studies on the C(sp<sup>2</sup>)−OCH<sub>2</sub>CF<sub>3</sub> bond formation mechanism indicate that it involves a Ni(III)/Ni(I) reductive elimination followed by oxidation to Ni(II) rather than the higher energy barrier Ni(IV)/Ni(II) reductive elimination. This mechanistic investigation deepens the versatile redox abilities of Ni compounds and might help in designing new catalysts for the 2,2,2-trifluoroethoxylation and 2,2-difluoroethoxylation of arene C−H bonds.</p>","PeriodicalId":100234,"journal":{"name":"ChemistryEurope","volume":"2 5","pages":""},"PeriodicalIF":0.0,"publicationDate":"2024-08-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://onlinelibrary.wiley.com/doi/epdf/10.1002/ceur.202400023","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142324465","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
Selenium-Centered Cascade Exchangers and Conformational Control Unlock Unique Patterns of Thiol-Mediated Cellular Uptake 以硒为中心的级联交换器和构象控制揭开了硫醇介导的细胞摄取的独特模式
ChemistryEurope Pub Date : 2024-08-02 DOI: 10.1002/ceur.202400032
Filipe Coelho, Lukas Zeisel, Prof. Oliver Thorn-Seshold, Prof. Stefan Matile
{"title":"Selenium-Centered Cascade Exchangers and Conformational Control Unlock Unique Patterns of Thiol-Mediated Cellular Uptake","authors":"Filipe Coelho,&nbsp;Lukas Zeisel,&nbsp;Prof. Oliver Thorn-Seshold,&nbsp;Prof. Stefan Matile","doi":"10.1002/ceur.202400032","DOIUrl":"https://doi.org/10.1002/ceur.202400032","url":null,"abstract":"<p>Dynamic-covalent electrophiles called cascade exchangers (CAXs) can reversibly engage cell-surface thiols. Conjugates between CAXs and molecular or even protein-sized cargos can deliver these cargos into cells by thiol-mediated uptake (TMU); free CAXs can also hinder TMU presumably by competing for thiol exchange sites. So far, three orthogonal networks of cellular thiol exchange partners have been identified to participate in TMU, centering on the transferrin receptor, integrins, and protein disulfide isomerases. This study introduces cyclic selenenylsulfides as a new CAX type, with polarised reactivity that brings important differences from the known disulfide and diselenide CAXs. Additionally, this study introduces methods to modulate CAX activity by employing remote functional groups to tune ring re-closure rates, e. g. via thiolate de/stabilization by hydrogen bonding and ion pairing. Differently to all CAXs known, Se-centred CAXs participate in <i>two</i> different TMU networks (integrins preferred, PDIA3 tolerated). When free, the remotely tuned Se-centred CAXs were strong inhibitors of most TMU systems, but again brought a novel feature: they <i>increased</i> the uptake of tetrel-centred Michael acceptor CAXs, making them the first free CAX we know of that can accelerate TMU. We conclude that Se- and tetrel-centred CAXs share a cellular thiol exchange partner that <i>hinders</i> TMU, which may be a target for improving the delivery of Michael acceptor drugs. The unique thiol exchange partner patterns generated by Se-centered CAXs with remotely tuned ring closure motifs support that they will prove a valuable tool to help decode TMU and achieve chemical control over cellular entry on the molecular level.</p>","PeriodicalId":100234,"journal":{"name":"ChemistryEurope","volume":"2 5","pages":""},"PeriodicalIF":0.0,"publicationDate":"2024-08-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://onlinelibrary.wiley.com/doi/epdf/10.1002/ceur.202400032","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142324459","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
Ullmann Coupling Reactions on Gold Nanoparticles 金纳米粒子上的乌尔曼偶联反应
ChemistryEurope Pub Date : 2024-07-19 DOI: 10.1002/ceur.202400024
Nathaniel Ukah, Prof. Dr. Hermann A. Wegner
{"title":"Ullmann Coupling Reactions on Gold Nanoparticles","authors":"Nathaniel Ukah,&nbsp;Prof. Dr. Hermann A. Wegner","doi":"10.1002/ceur.202400024","DOIUrl":"10.1002/ceur.202400024","url":null,"abstract":"<p>There has been a plethora of experience in conducting organic reactions in solution, with little to no knowledge in organic reactions on surfaces. Broadening the horizon of organic on-surface synthesis will enable creation of functional materials and direct integration into devices. Herein, we report an Ullmann reaction on thiol-functionalized gold nanoparticles serving as reactant, stabilizing agent, catalyst and reducing agent in this transformation. The orientation of ligands and formation of Surface Assembled Monolayer (SAM) on the gold nanoparticles were exploited to attain selectivity of hetero- over homo-Ullmann coupling, thus, expanding the toolbox of organic on-surface synthesis to nanoparticles.</p>","PeriodicalId":100234,"journal":{"name":"ChemistryEurope","volume":"2 5","pages":""},"PeriodicalIF":0.0,"publicationDate":"2024-07-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://onlinelibrary.wiley.com/doi/epdf/10.1002/ceur.202400024","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141823469","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 Feature: Sulfoxide-Mediated Cys-Trp-Selective Bioconjugation that Enables Protein Labeling and Peptide Heterodimerization (ChemistryEurope 3-4/2024) 封面专题：过氧化硫介导的 Cys-Trp 选择性生物键合可实现蛋白质标记和多肽异源二聚化（欧洲化学 3-4/2024 期）
ChemistryEurope Pub Date : 2024-07-08 DOI: 10.1002/ceur.202400047
Dr. Daishiro Kobayashi, Dr. Masaya Denda, Junya Hayashi, Kota Hidaka, Yutaka Kohmura, Dr. Takaaki Tsunematsu, Dr. Kohei Nishino, Dr. Harunori Yoshikawa, Dr. Kento Ohkawachi, Dr. Kiyomi Nigorikawa, Dr. Tetsuro Yoshimaru, Prof. Naozumi Ishimaru, Prof. Wataru Nomura, Prof. Toyomasa Katagiri, Prof. Hidetaka Kosako, Prof. Akira Otaka
{"title":"Cover Feature: Sulfoxide-Mediated Cys-Trp-Selective Bioconjugation that Enables Protein Labeling and Peptide Heterodimerization (ChemistryEurope 3-4/2024)","authors":"Dr. Daishiro Kobayashi,&nbsp;Dr. Masaya Denda,&nbsp;Junya Hayashi,&nbsp;Kota Hidaka,&nbsp;Yutaka Kohmura,&nbsp;Dr. Takaaki Tsunematsu,&nbsp;Dr. Kohei Nishino,&nbsp;Dr. Harunori Yoshikawa,&nbsp;Dr. Kento Ohkawachi,&nbsp;Dr. Kiyomi Nigorikawa,&nbsp;Dr. Tetsuro Yoshimaru,&nbsp;Prof. Naozumi Ishimaru,&nbsp;Prof. Wataru Nomura,&nbsp;Prof. Toyomasa Katagiri,&nbsp;Prof. Hidetaka Kosako,&nbsp;Prof. Akira Otaka","doi":"10.1002/ceur.202400047","DOIUrl":"https://doi.org/10.1002/ceur.202400047","url":null,"abstract":"<p><b>A tryptophan modification</b> that utilizes S-acetamidomethyl cysteine sulfoxide under mildly acidic conditions with magnesium chloride was achieved. An optimum condition in an ionic liquid allowed antibody modification without significant denaturation. In their Research Article, A. Otaka and co-workers describe the difference in chemical behaviors to acids between S-acetamidomethyl and <i>p</i>-methoxybenzyl cysteine sulfoxides permitted peptide heterodimerization in a one-pot sequential manner.\u0000 <figure>\u0000 <div><picture>\u0000 <source></source></picture><p></p>\u0000 </div>\u0000 </figure>\u0000 </p>","PeriodicalId":100234,"journal":{"name":"ChemistryEurope","volume":"2 3-4","pages":""},"PeriodicalIF":0.0,"publicationDate":"2024-07-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://onlinelibrary.wiley.com/doi/epdf/10.1002/ceur.202400047","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141561166","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 Feature: Single-Carbon Atom Doping Reactions Using Atomic Carbon and Its Equivalents (ChemistryEurope 3-4/2024) 封面专题：使用原子碳及其等价物的单碳原子掺杂反应（欧洲化学展 3-4/2024）
ChemistryEurope Pub Date : 2024-07-08 DOI: 10.1002/ceur.202400044
Dr. Hayato Fujimoto, Prof. Dr. Mamoru Tobisu
{"title":"Cover Feature: Single-Carbon Atom Doping Reactions Using Atomic Carbon and Its Equivalents (ChemistryEurope 3-4/2024)","authors":"Dr. Hayato Fujimoto,&nbsp;Prof. Dr. Mamoru Tobisu","doi":"10.1002/ceur.202400044","DOIUrl":"https://doi.org/10.1002/ceur.202400044","url":null,"abstract":"<p><b>The ignited meteorite</b> serves as a vivid representation of a carbon atom. Upon collision with the molecule, the meteorite merges with it, and the eruption of flames soaring in tetrahedral direction signifies the formation of four novel covalent bonds realized by the single-carbon-atom doping (SCAD) reaction, which is the focus of this Concept article by H. Fujimoto and M. Tobisu.\u0000 <figure>\u0000 <div><picture>\u0000 <source></source></picture><p></p>\u0000 </div>\u0000 </figure>\u0000 </p>","PeriodicalId":100234,"journal":{"name":"ChemistryEurope","volume":"2 3-4","pages":""},"PeriodicalIF":0.0,"publicationDate":"2024-07-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://onlinelibrary.wiley.com/doi/epdf/10.1002/ceur.202400044","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141565764","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 Feature: Activation of σ-Bonds by Group 13/Ylide-Based Ambiphiles: Understanding and Design (ChemistryEurope 3-4/2024) 封面特写：13 族/基于 Ylide 的 Ambiphiles 对 σ 键的活化：理解与设计（ChemistryEurope 3-4/2024）
ChemistryEurope Pub Date : 2024-07-08 DOI: 10.1002/ceur.202400046
Daniel González-Pinardo, Dr. Felix Krämer, Prof. Dr. Frank Breher, Prof. Dr. Israel Fernández
{"title":"Cover Feature: Activation of σ-Bonds by Group 13/Ylide-Based Ambiphiles: Understanding and Design (ChemistryEurope 3-4/2024)","authors":"Daniel González-Pinardo,&nbsp;Dr. Felix Krämer,&nbsp;Prof. Dr. Frank Breher,&nbsp;Prof. Dr. Israel Fernández","doi":"10.1002/ceur.202400046","DOIUrl":"https://doi.org/10.1002/ceur.202400046","url":null,"abstract":"<p><b>The cover illustrates the usefulness of the Group 13 ylide-based amphiphiles</b>, also known as hidden frustrated Lewis pairs (FLP), towards the facile activation of σ-E−H bonds. In their Research Article, F. Breher, I. Fernández and co-workers computationally explored the factors controlling the activation of sigma bonds promoted by hidden FLP using quantum chemical tools.\u0000 <figure>\u0000 <div><picture>\u0000 <source></source></picture><p></p>\u0000 </div>\u0000 </figure>\u0000 </p>","PeriodicalId":100234,"journal":{"name":"ChemistryEurope","volume":"2 3-4","pages":""},"PeriodicalIF":0.0,"publicationDate":"2024-07-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://onlinelibrary.wiley.com/doi/epdf/10.1002/ceur.202400046","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141565850","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 Feature: Preparation of a Stable Cr2O3/Cu/TiO2 Plasmonic Photocatalyst for Selective Alcohol Oxidation under Visible Light Irradiation (λ>600 nm) (ChemistryEurope 3-4/2024) 封面专题：制备稳定的 Cr2O3/Cu/TiO2 等离子体光催化剂，用于在可见光照射（λ>600 nm）下选择性氧化酒精（欧洲化学 3-4/2024 期）
ChemistryEurope Pub Date : 2024-07-08 DOI: 10.1002/ceur.202400045
Dr. Atsuhiro Tanaka, Kohki Okabayashi, Ryosuke Yagi, Prof. Dr. Hiroshi Kominami
{"title":"Cover Feature: Preparation of a Stable Cr2O3/Cu/TiO2 Plasmonic Photocatalyst for Selective Alcohol Oxidation under Visible Light Irradiation (λ>600 nm) (ChemistryEurope 3-4/2024)","authors":"Dr. Atsuhiro Tanaka,&nbsp;Kohki Okabayashi,&nbsp;Ryosuke Yagi,&nbsp;Prof. Dr. Hiroshi Kominami","doi":"10.1002/ceur.202400045","DOIUrl":"https://doi.org/10.1002/ceur.202400045","url":null,"abstract":"<p><b>A Cu@Cr<sub>2</sub>O<sub>3</sub>/TiO<sub>2</sub> plasmonic photocatalyst</b> together with charge separation of hot electrons and positive holes working under visible light irradiation is depicted on the cover feature. In their Research Article, H. Kominami and co-workers report that part of Cr<sub>2</sub>O<sub>3</sub> (red and turquoise spheres) has been removed from the Cu@Cr<sub>2</sub>O<sub>3</sub>/TiO<sub>2</sub> core–shell particle in the center to show the inner Cu nanoparticles (orange spheres). The hot electrons (e<sup>−</sup>) generated by the light irradiation move to the surface of the TiO<sub>2</sub>, and the positive holes (h<sup>+</sup>) are left on the Cu@Cr<sub>2</sub>O<sub>3</sub>/TiO<sub>2</sub> particle.\u0000 <figure>\u0000 <div><picture>\u0000 <source></source></picture><p></p>\u0000 </div>\u0000 </figure>\u0000 </p>","PeriodicalId":100234,"journal":{"name":"ChemistryEurope","volume":"2 3-4","pages":""},"PeriodicalIF":0.0,"publicationDate":"2024-07-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://onlinelibrary.wiley.com/doi/epdf/10.1002/ceur.202400045","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141561165","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
Front Cover: Synthesis of Peptides by Reactive Extrusion. Application to the Continuous and Solventless Preparation of Aspartame. (ChemistryEurope 3-4/2024) 封面：通过反应挤压合成肽。应用于阿斯巴甜的连续无溶剂制备。(欧洲化学》3-4/2024）。
ChemistryEurope Pub Date : 2024-07-08 DOI: 10.1002/ceur.202400043
Dr. Tharwat Mohy El-Dine, Matthieu Lavayssiere, Dr. Hélène Adihou, Prof. Gilles Subra, Dr. Thomas-Xavier Métro, Dr. Olivier Ludemann-Hombourger, Dr. Frédéric Lamaty
{"title":"Front Cover: Synthesis of Peptides by Reactive Extrusion. Application to the Continuous and Solventless Preparation of Aspartame. (ChemistryEurope 3-4/2024)","authors":"Dr. Tharwat Mohy El-Dine,&nbsp;Matthieu Lavayssiere,&nbsp;Dr. Hélène Adihou,&nbsp;Prof. Gilles Subra,&nbsp;Dr. Thomas-Xavier Métro,&nbsp;Dr. Olivier Ludemann-Hombourger,&nbsp;Dr. Frédéric Lamaty","doi":"10.1002/ceur.202400043","DOIUrl":"https://doi.org/10.1002/ceur.202400043","url":null,"abstract":"<p><b>Front Cover picture illustrates the merging of mechanics and chemistry</b> to produce molecules of interest. The synthesis of peptides by flow mechanochemistry was performed in a twin-screw extruder (TSE) used as a chemical reactor. In their Research Article, T. M. El-Dine, T.-X. Métro, F. Lamaty, and co-workers describe how applications of screw-generated mechanical forces to a mixture of amino acids and coupling agents delivered to the top of a TSE barrel promoting the synthesis of the corresponding peptide—in this case, aspartame—recovered from the die of the TSE. Various peptides were synthesized by this method. The artwork was designed my by Marcelin Lamaty.\u0000 <figure>\u0000 <div><picture>\u0000 <source></source></picture><p></p>\u0000 </div>\u0000 </figure>\u0000 </p>","PeriodicalId":100234,"journal":{"name":"ChemistryEurope","volume":"2 3-4","pages":""},"PeriodicalIF":0.0,"publicationDate":"2024-07-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://onlinelibrary.wiley.com/doi/epdf/10.1002/ceur.202400043","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141561164","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 Feature: Introducing Weakly Ligated Tris(trifluoromethyl)copper(III) (ChemistryEurope 3-4/2024) 封面专题：弱连接三(三氟甲基)铜(III)介绍（欧洲化学 3-4/2024）
ChemistryEurope Pub Date : 2024-07-08 DOI: 10.1002/ceur.202400049
Dr. Vladimir Motornov, Martin Procházka, Nora Alpuente, Dr. Pedro Salvador, Prof. Petr Slavíček, Dr. Blanka Klepetářová, Prof. Xavi Ribas, Dr. Petr Beier
{"title":"Cover Feature: Introducing Weakly Ligated Tris(trifluoromethyl)copper(III) (ChemistryEurope 3-4/2024)","authors":"Dr. Vladimir Motornov,&nbsp;Martin Procházka,&nbsp;Nora Alpuente,&nbsp;Dr. Pedro Salvador,&nbsp;Prof. Petr Slavíček,&nbsp;Dr. Blanka Klepetářová,&nbsp;Prof. Xavi Ribas,&nbsp;Dr. Petr Beier","doi":"10.1002/ceur.202400049","DOIUrl":"https://doi.org/10.1002/ceur.202400049","url":null,"abstract":"<p><b>An elusive T-shaped high-valent Cu<sup>III</sup> derivative</b>, Cu(CF<sub>3</sub>)<sub>3</sub> which is depicted on the cover, was stabilized in the form of solvates and theoretically studied. In their Research Article, V. Motornov, X. Ribas, P. Beier, and co-workers report the synthesis of solvates Cu(CF<sub>3</sub>)<sub>3</sub>⋅2DMF and Cu(CF<sub>3</sub>)<sub>3</sub>⋅MeCN, which were fully characterized including X-ray crystallography. Ligand substitution in these solvates enables access to a variety of new high-valent Cu<sup>III</sup> complexes. The authors would like to thank Tomáš Belloň for creating the artwork.\u0000 <figure>\u0000 <div><picture>\u0000 <source></source></picture><p></p>\u0000 </div>\u0000 </figure>\u0000 </p>","PeriodicalId":100234,"journal":{"name":"ChemistryEurope","volume":"2 3-4","pages":""},"PeriodicalIF":0.0,"publicationDate":"2024-07-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://onlinelibrary.wiley.com/doi/epdf/10.1002/ceur.202400049","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141565765","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
Activation of σ-Bonds by Group 13/Ylide-Based Ambiphiles: Understanding and Design 第 13 组/基于 Ylide 的 Ambiphiles 对 σ 键的活化：理解与设计
ChemistryEurope Pub Date : 2024-06-17 DOI: 10.1002/ceur.202400020
Daniel González-Pinardo, Dr. Felix Krämer, Prof. Dr. Frank Breher, Prof. Dr. Israel Fernández
{"title":"Activation of σ-Bonds by Group 13/Ylide-Based Ambiphiles: Understanding and Design","authors":"Daniel González-Pinardo,&nbsp;Dr. Felix Krämer,&nbsp;Prof. Dr. Frank Breher,&nbsp;Prof. Dr. Israel Fernández","doi":"10.1002/ceur.202400020","DOIUrl":"https://doi.org/10.1002/ceur.202400020","url":null,"abstract":"<p>The factors controlling the activation of σ-bonds promoted by hidden Frustrated Lewis Pairs have been computationally explored using quantum chemical tools. To this end, the influence of both the nature of the group 13 element acting as Lewis acid as well as the cooperative action of the Lewis antagonists on the bond activation was quantitatively analyzed by means of the activation strain model of reactivity in combination with the energy decomposition analysis method. It is found that while the activation of the polar E<sup>X</sup>−H bonds (E<sup>15</sup>=group 15 element; E<sup>16</sup>=group 16 element) is feasible, the analogous processes involving non-polar E<sup>14</sup>−H bonds (CH<sub>4</sub>, SiH<sub>4</sub> or H<sub>2</sub>) proceed with much higher barriers. Nevertheless, these processes, and in particular the dihydrogen activation, can be realizable (i. e. proceeding with a feasible barrier) through rational design.</p>","PeriodicalId":100234,"journal":{"name":"ChemistryEurope","volume":"2 3-4","pages":""},"PeriodicalIF":0.0,"publicationDate":"2024-06-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://onlinelibrary.wiley.com/doi/epdf/10.1002/ceur.202400020","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141561173","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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