QSAR and Machine Learning Predictors DOI
Philipe Oliveira Fernandes, Vinícius Gonçalves Maltarollo

Опубликована: Янв. 1, 2024

Язык: Английский

Indium Nitride Nanowires: Low Redox Potential Anodes for Lithium‐Ion Batteries DOI Creative Commons
Tianqi Guo, Yurong Zhou, Zhongchang Wang

и другие.

Advanced Science, Год журнала: 2024, Номер 11(22)

Опубликована: Март 27, 2024

Abstract Advanced lithium‐ion batteries (LIBs) are crucial to portable devices and electric vehicles. However, it is still challenging further develop the current anodic materials such as graphite due intrinsic limited capacity sluggish Li‐ion diffusion. Indium nitride (InN), which a new type of material with low redox potential (<0.7 V vs Li/Li + ) narrow bandgap (0.69 eV), may serve high‐energy density anode for LIBs. Here, growth 1D single crystalline InN nanowires reported on Au‐decorated carbon fibers (InN/Au‐CFs) via chemical vapor deposition, possessing high aspect ratio 400. The binder‐free Au‐CFs conductivity can provide abundant sites enhance binding force dense nanowires, displaying shortened Li ion diffusion paths, structural stability, fast kinetics. InN/Au‐CFs offer stable high‐rate delithiation/lithiation without achieve remarkable 632.5 mAh g −1 at 0.1 A after 450 cycles 416 rate 30 . battery anodes shall hold substantial promise fulfilling superior long‐term cycling performance capability advanced

Язык: Английский

Процитировано

14

Organic Reactions Catalyzed by Brønsted acid B(C6F5)3·H2O DOI
Tianwei Liu

Organic Chemistry Frontiers, Год журнала: 2025, Номер unknown

Опубликована: Янв. 1, 2025

This article reviews the organic reactions catalyzed by Brønsted acid B(C 6 F 5 ) 3 ·H 2 O and their mechanisms, along with an outlook on its future catalytic prospects.

Язык: Английский

Процитировано

1

In-silico-assisted derivatization of triarylboranes for the catalytic reductive functionalization of aniline-derived amino acids and peptides with H2 DOI Creative Commons
Yusei Hisata, Takashi Washio, Shinobu Takizawa

и другие.

Nature Communications, Год журнала: 2024, Номер 15(1)

Опубликована: Май 7, 2024

Cheminformatics-based machine learning (ML) has been employed to determine optimal reaction conditions, including catalyst structures, in the field of synthetic chemistry. However, such ML-focused strategies have remained largely unexplored context catalytic molecular transformations using Lewis-acidic main-group elements, probably due absence a candidate library and effective guidelines (parameters) for prediction activity elements. Here, construction triarylborane its application an ML-assisted approach reductive alkylation aniline-derived amino acids C-terminal-protected peptides with aldehydes H

Язык: Английский

Процитировано

6

Water-resistant FLPs-polymer as recyclable catalysts for selective hydrogenation of alkynes DOI

Jialong Ou,

Tianxiang Zhao, Wenjie Xiong

и другие.

Chemical Engineering Journal, Год журнала: 2023, Номер 477, С. 147248 - 147248

Опубликована: Ноя. 10, 2023

Язык: Английский

Процитировано

10

Remote Back Strain: A Strategy for Modulating the Reactivity of Triarylboranes DOI
Sensuke Ogoshi, Yoichi Hoshimoto,

Mahiro Sakuraba

и другие.

Synlett, Год журнала: 2023, Номер 34(18), С. 2187 - 2192

Опубликована: Июнь 14, 2023

Abstract A strategy for modulating the Lewis acidity of triarylboranes is proposed based on concept remote back strain. Steric repulsion and noncovalent interactions, both generated between aryl meta-substituents triarylboranes, are found to be critical determining strength Applying this concept, we synthesized B[2,6-F2-3,5-(TMS)2-C6H]3 liquid B[2,6-F2-3,5-(allyl)2-C6H]3 demonstrated their superior catalytic activity hydrogenation quinoline relative B(C6F5)3 or B(2,6-F2C6H3)3. Moreover, established first example by using in presence a gaseous 1:1:1 molar mixture H2, CO, CO2.

Язык: Английский

Процитировано

8

Recent Trends in Triarylborane Chemistry: Diversification of Structures and Reactivity via meta-Substitution of the Aryl Groups DOI Creative Commons
Yoichi Hoshimoto,

Mahiro Sakuraba

Synthesis, Год журнала: 2024, Номер 56(22), С. 3421 - 3430

Опубликована: Авг. 19, 2024

Abstract This Short Review summarizes the synthesis and applications of triarylboranes (BAr3), including both homoleptic heteroleptic species, with a focus on modification their electronic structural properties via introduction meta-substituents respect to B atoms Ar groups. approach constitutes complementary alternative conventional strategies for design BAr3, which are usually based ortho- and/or para-substituents. An initial analysis revealed that CH3 F most common in hitherto reported BAr3 (apart from H atom). Thus, an extensive exploration other substituents, e.g., heavier halogens, longer or functionalized alkyl groups, aryl will increase our knowledge structure reactivity eventually lead range new applications. 1 Introduction 2 Scope this 2.1 The Electronic Steric Influence meta-Substituents 2.2 Molecular Transformations Mediated by meta-Substituted Boranes 2.3 Other Examples meta-Functionalization 3 Conclusions Perspectives

Язык: Английский

Процитировано

3

Dispersion Energy‐Stabilized Boron and Phosphorus Lewis Pairs DOI Creative Commons

Benedikt Sieland,

Marcel Stahn, Roland Schoch

и другие.

Angewandte Chemie International Edition, Год журнала: 2023, Номер 62(35)

Опубликована: Июль 10, 2023

An isostructural series of boron/phosphorus Lewis pairs was systematically investigated. The association constants the were determined at variable temperatures, enabling extraction thermodynamic parameters. stabilization adduct increased with increasing size dispersion energy donor groups, although and acceptor properties remained largely unchanged. This data utilized to challenge state-of-the-art quantum chemical methods, which finally led an enhanced workflow for determination thermochemical weakly bound within accuracy 0.6 1.0 kcal mol-1 computed free energies.

Язык: Английский

Процитировано

7

Stereocontrol via Propeller Chirality in FLP‐Catalyzed Asymmetric Hydrogenation DOI Creative Commons

Bianka Kótai,

Gábor Laczkó,

Andrea Hamza

и другие.

Chemistry - A European Journal, Год журнала: 2024, Номер 30(21)

Опубликована: Янв. 31, 2024

Abstract Utilization of chiral frustrated Lewis pairs as catalysts in enantioselective hydrogenation unsaturated molecules represents a promising approach asymmetric synthesis. In our effort to improve current understanding the factors governing stereoselectivity these catalytic processes, herein we examined mechanism direct aromatic enamines catalyzed by binaphthyl–based amino–borane. Our computational analysis reveals that only one particular conformer key borohydride reaction intermediate can be regarded reactive form this species. This has well–defined propeller shape, which induces facial selectivity hydride transfer pro–chiral iminium intermediates. The chirality is generated axially binaphthyl scaffold amino–borane catalyst through stabilizing π‐π stacking interactions. new insight readily used interpret high degree stereoinduction observed for reactions. We expect concept relay could further exploited design endeavors.

Язык: Английский

Процитировано

2

Selective Reduction of Esters to Access Aldehydes Using Fiddler Crab-Type Boranes DOI Creative Commons
Ádám Dudás,

Ádám Gyömöre,

Bence Balázs Mészáros

и другие.

Journal of the American Chemical Society, Год журнала: 2024, Номер unknown

Опубликована: Дек. 26, 2024

The partial reduction of esters to aldehydes is a fundamentally important transformation for the synthesis numerous fine chemicals and consumer goods. However, despite many efforts, limitations have persisted, such as competing overreduction, low reproducibility, use exigent reaction conditions hazardous chemicals. Here, we report novel catalyst family with unique steric design which promotes catalytic unprecedented, near-perfect selectivity efficiency. This metal-free method ready be placed at disposal chemists provide valuable aldehyde intermediates products shows promise streamlining synthetic methods in academic industrial settings.

Язык: Английский

Процитировано

2

Biomimetic Frustrated Lewis Pair Catalysts for Hydrogenation of CO to Methanol at Low Temperatures DOI Creative Commons
J. Zhang, Longfei Li, Xiaofeng Xie

и другие.

ACS Organic & Inorganic Au, Год журнала: 2024, Номер 4(2), С. 258 - 267

Опубликована: Янв. 31, 2024

The industrial production of methanol through CO hydrogenation using the Cu/ZnO/Al2O3 catalyst requires harsh conditions, and development new catalysts with low operating temperatures is highly desirable. In this study, organic biomimetic FLP good tolerance to poison are theoretically designed. base-free catalytic reaction contains 1,1-addition into a formic acid intermediate methanol. Low-energy spans (25.6, 22.1, 20.6 kcal/mol) achieved, indicating that can be hydrogenated at temperatures. extended aromatization–dearomatization effect involving multiple rings proposed effectively facilitate rate-determining step, activation model for catalysts.

Язык: Английский

Процитировано

1