☆ 4.6 Article

Stabilization of Diborynes versus Destabilization of Diborenes by Coordination of Lewis Bases: Unravelling the Dichotomy

CHEMISTRY-A EUROPEAN JOURNAL (2023)

相关参考文献

注意：仅列出部分参考文献，下载原文获取全部文献信息。

Article Chemistry, Inorganic & Nuclear

The Search for Enhanced σ-Donor Ligands to Stabilize Boron-Boron Multiple Bonds

Daniel E. Trujillo-Gonzalez et al.

Summary: Boron-boron multiple bonds, such as diborenes and diborynes, are stabilized by sigma-donor ligands that provide electron density to these electron-deficient species. These compounds play a significant role in the study of chemical bonding and can activate small molecules like transition metals. Our density functional calculations showed that ligands with high or medium Lewis basicity effectively stabilize diborynes, while beryllium-based ligands show promise in stabilizing diborynes without affecting the triple bond character.

EUROPEAN JOURNAL OF INORGANIC CHEMISTRY (2023)

添加到收藏夹

Article Chemistry, Multidisciplinary

Metallomimetic Chemistry of a Cationic, Geometrically Constrained Phosphine in the Catalytic Hydrodefluorination and Amination of Ar-F Bonds

Karina Chulsky et al.

Summary: The synthesis, isolation, and reactivity of a cationic sigma 3-P compound were reported using a geometrically constrained hexaphenyl-carbodiphosphoranyl-based pincer-type ligand (1+). The compound (1+) reacted with electron-poor fluoroarenes, resulting in the formation of new fluorophosphorane-type species (PV) through an oxidative addition-type reaction. This reactivity was utilized in catalytic hydrodefluorination and C-N bond-forming cross-coupling reactions, closely mimicking the mode of action of transition metal-based catalysts.

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2023)

添加到收藏夹

Article Chemistry, Physical

Revisiting the π-Back-Donation in the NHC-BB-NHC Molecule

Chang Xu et al.

Summary: In this study, the details of pi-back-donation in NHC-B B-NHC complex were revisited using DFT calculations, demonstrating its crucial role in stabilizing the B-B bond.

JOURNAL OF PHYSICAL CHEMISTRY A (2021)

添加到收藏夹

Article Chemistry, Multidisciplinary

1,2-Carbopentafluorophenylation of Alkynes: The Metallomimetic Pull-Push Reactivity of Tris(pentafluorophenyl)borane

Masatoshi Shibuya et al.

Summary: The study presents a novel single-step 1,2-dicarbofunctionalization method involving arylacetylene with an allylsilane and tris(pentafluorophenyl)borane [B(C6F5)(3)], leading to the formation of tetrafluoronaphthalenes. The unique reactivity of B(C6F5)(3) enables smooth reaction progress and can also result in ring opening in reactions with 2-substituted furan.

CHEMISTRY-A EUROPEAN JOURNAL (2021)

添加到收藏夹

Review Chemistry, Multidisciplinary

Chemical reactivity from an activation strain perspective

Pascal Vermeeren et al.

Summary: Chemical reactions are essential for life and industry, and computational chemistry provides valuable insight into their mechanisms and reactivity. The activation strain model is a powerful tool for understanding reactivity by evaluating the energy of interacting reactants and their molecular structures. This model allows for a causal relationship between the sterics and electronics of reactants and their reactivity, providing a rational approach to chemical transformations.

CHEMICAL COMMUNICATIONS (2021)

添加到收藏夹

Article Chemistry, Multidisciplinary

Transition-metal-like bonding behaviors of a boron atom in a boron-cluster boronyl complex [(η7-B7)-B-BO]-

Wen-Juan Tian et al.

Summary: Boron atom in a boron monoxide cluster exhibits transition-metal-like properties, with two isomers characterized. The unexpected umbrella-like global minimum of B9O- displays double aromaticity. Boron's ability to form half-sandwich complexes with aromatic ligands showcases new metallomimetic properties.

CHEMICAL SCIENCE (2021)

添加到收藏夹

Article Biochemical Research Methods

Understanding chemical reactivity using the activation strain model

Pascal Vermeeren et al.

NATURE PROTOCOLS (2020)

添加到收藏夹

Article Chemistry, Multidisciplinary

Trapping of a Borirane Intermediate in the Reductive Coupling of an Arylborane to a Diborene

Alexander Hermann et al.

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2020)

添加到收藏夹

Article Chemistry, Multidisciplinary

PyFrag 2019-Automating the Exploration and Analysis of Reaction Mechanisms

Xiaobo Sun et al.

JOURNAL OF COMPUTATIONAL CHEMISTRY (2019)

添加到收藏夹

Review Chemistry, Inorganic & Nuclear

Recent advances in transition metal diborane(6), diborane(4) and diborene(2) chemistry

Rosmita Borthakur et al.

COORDINATION CHEMISTRY REVIEWS (2019)

添加到收藏夹

Review Chemistry, Multidisciplinary

Metallomimetic Chemistry of Boron

Marc-Andre Legare et al.

CHEMICAL REVIEWS (2019)

添加到收藏夹

Article Chemistry, Multidisciplinary

Boron-boron, carbon-carbon and nitrogen-nitrogen bonding in N-heterocyclic carbenes and their diazaboryl and triazole analogues: Wanzlick equilibrium revisited

K. Mlodzikowska et al.

NEW JOURNAL OF CHEMISTRY (2018)

添加到收藏夹

Article Chemistry, Organic

Frustrated Lewis Pair Catalyzed C-H Activation of Heteroarenes: A Stepwise Carbene Mechanism Due to Distance Effect

Youxiang Shao et al.

ORGANIC LETTERS (2018)

添加到收藏夹

Article Chemistry, Multidisciplinary

Single and double activation of acetone by isolobal BN and BB triple bonds

Julian Boehnke et al.

CHEMICAL SCIENCE (2018)

添加到收藏夹

Article Chemistry, Multidisciplinary

The Transition-Metal-Like Behavior of B-2(NHC)(2) in the Activation of CO: HOMO-LUMO Swap Without Photoinduction

Huaiyu Zhang et al.

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION (2018)

添加到收藏夹

Article Chemistry, Physical

Diborene: Generation and Photoelectron Spectroscopy of an Inorganic Biradical

Domenik Schleier et al.

JOURNAL OF PHYSICAL CHEMISTRY LETTERS (2018)

添加到收藏夹

Article Chemistry, Multidisciplinary

Metal-Free Borylation of Heteroarenes Using Ambiphilic Aminoboranes: On the Importance of Sterics in Frustrated Lewis Pair C-H Bond Activation

Julien Legare Lavergne et al.

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2017)

添加到收藏夹

Article Chemistry, Multidisciplinary

Main-Group Metallomimetics: Transition Metal-like Photolytic CO Substitution at Boron

Holger Braunschweig et al.

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2017)

添加到收藏夹

Article Chemistry, Multidisciplinary

Reactivity of a Dihydrodiborene with CO: Coordination, Insertion, Cleavage, and Spontaneous Formation of a Cyclic Alkyne

M. Arrowsmith et al.

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION (2017)

添加到收藏夹

Article Chemistry, Multidisciplinary

Uncatalyzed Hydrogenation of First-Row Main Group Multiple Bonds

Merle Arrowsmith et al.

CHEMISTRY-A EUROPEAN JOURNAL (2016)

添加到收藏夹

Article Chemistry, Multidisciplinary

From an Electron-Rich Bis(boraketenimine) to an Electron-Poor Diborene

Julian Boehnke et al.

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION (2015)

添加到收藏夹

Article Chemistry, Multidisciplinary

The Synthesis of B2(SIDip)2 and its Reactivity Between the Diboracumulenic and Diborynic Extremes

Julian Boehnke et al.

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION (2015)

添加到收藏夹

Article Chemistry, Multidisciplinary

Frustrated Lewis Pair Chemistry: Development and Perspectives

Douglas W. Stephan et al.

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION (2015)

添加到收藏夹

Article Chemistry, Multidisciplinary

Frustrated Lewis Pairs

Douglas W. Stephan

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2015)

添加到收藏夹

Article Multidisciplinary Sciences

Metal-free catalytic C-H bond activation and borylation of heteroarenes

Marc-Andre Legare et al.

SCIENCE (2015)

添加到收藏夹

Article Chemistry, Multidisciplinary

The boron-boron triple bond in NHC→B≡B←NHC

Nicole Holzmann et al.

CHEMICAL SCIENCE (2015)

添加到收藏夹

Article Chemistry, Multidisciplinary

Metal-free binding and coupling of carbon monoxide at a boron-boron triple bond

Holger Braunschweig et al.

NATURE CHEMISTRY (2013)

添加到收藏夹

Article Chemistry, Physical

Rovibrational energies of B2H2((X)over-tilde3Σg-) from an explicitly correlated potential energy surface

Vincent Brites et al.

COMPUTATIONAL AND THEORETICAL CHEMISTRY (2013)

添加到收藏夹

Article Chemistry, Multidisciplinary

Metal-free Catalytic Olefin Hydrogenation: Low-Temperature H2 Activation by Frustrated Lewis Pairs

Lutz Greb et al.

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION (2012)

添加到收藏夹

Article Chemistry, Inorganic & Nuclear

Reactions of Modified Intermolecular Frustrated P/B Lewis Pairs with Dihydrogen, Ethene, and Carbon Dioxide

Marcel Harhausen et al.

ORGANOMETALLICS (2012)

添加到收藏夹

Article Multidisciplinary Sciences

Ambient-Temperature Isolation of a Compound with a Boron-Boron Triple Bond

Holger Braunschweig et al.

SCIENCE (2012)

添加到收藏夹

Editorial Material Multidisciplinary Sciences

A Boron-Boron Triple Bond

Gernot Frenking et al.

SCIENCE (2012)

添加到收藏夹

Article Chemistry, Multidisciplinary

Structures and Stabilities of Group 13 Adducts [(NHC)(EX3)] and [(NHC)2(E2Xn)] (E=B to In; X=H, Cl; n=4, 2, 0; NHC=N-Heterocyclic Carbene) and the Search for Hydrogen Storage Systems: A Theoretical Study

Nicole Holzmann et al.

CHEMISTRY-A EUROPEAN JOURNAL (2011)

添加到收藏夹

Article Chemistry, Multidisciplinary

Effect of the Damping Function in Dispersion Corrected Density Functional Theory

Stefan Grimme et al.

JOURNAL OF COMPUTATIONAL CHEMISTRY (2011)

添加到收藏夹

Article Chemistry, Physical

A consistent and accurate ab initio parametrization of density functional dispersion correction (DFT-D) for the 94 elements H-Pu

Stefan Grimme et al.

JOURNAL OF CHEMICAL PHYSICS (2010)

添加到收藏夹

Review Multidisciplinary Sciences

Main-group elements as transition metals

Philip P. Power

NATURE (2010)

添加到收藏夹

Review Chemistry, Multidisciplinary

Rationalizing the Reactivity of Frustrated Lewis Pairs: Thermodynamics of H2 Activation and the Role of Acid-Base Properties

Tibor Andras Rokob et al.

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2009)

添加到收藏夹

Article Chemistry, Physical

A theoretical study of diborenes HLB=BLH for L=CO, NH3, OH2, PH3, SH2, ClH: structures, energies, and spin-spin coupling constants

Ibon Alkorta et al.

THEORETICAL CHEMISTRY ACCOUNTS (2009)

添加到收藏夹

Article Chemistry, Physical

Ab initio investigation of the electronic structure and bonding of BH, BH-, and HBBH molecules

Evangelos Miliordos et al.

JOURNAL OF CHEMICAL PHYSICS (2008)

添加到收藏夹

Article Chemistry, Physical

Role of s-p orbital mixing in the bonding and properties of second-period diatomic molecules

F. Matthias Bickelhaupt et al.

JOURNAL OF PHYSICAL CHEMISTRY A (2008)

添加到收藏夹

Article Chemistry, Multidisciplinary

Planar, twisted, and trans-bent: Conformational flexibility of neutral diborenes

Yuzhong Wang et al.

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2008)

添加到收藏夹

Article Chemistry, Multidisciplinary

A stable neutral diborene containing a B=B double bond

Yuzhong Wang et al.

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2007)

添加到收藏夹

Article Multidisciplinary Sciences

Reversible, metal-free hydrogen activation

Gregory C. Welch et al.

SCIENCE (2006)

添加到收藏夹

Review Chemistry, Multidisciplinary

Chemistry with ADF

G te Velde et al.

JOURNAL OF COMPUTATIONAL CHEMISTRY (2001)

添加到收藏夹

© Peeref 2019-2024. All rights reserved.