Study on the B–H bond dissociation enthalpies of Lewis base–borane complexes

No abstract is available for this paper.

• Publication year

  2025

• Venue

  JUSTC

• Publication date

  Unknown publication date

• Fields of study

  Not labeled

• Identifiers
  DOI 10.52396/justc-2025-0009
• External record

  Open on Semantic Scholar

• Source metadata

  Semantic Scholar

• No claims are published for this paper.

• No concepts are published for this paper.

• A comprehensive electron wavefunction analysis toolbox for chemists, Multiwfn.

  2024cited by this paper
• Boryl Radical as a Catalyst in Enabling Intra- and Intermolecular Cascade Radical Cyclization Reactions: Construction of Polycyclic Molecules.

  2024cited by this paper
• Halogen Atom Transfer-Induced Homolysis of C-F Bonds by the Excited-State Boryl Radical.

  2024cited by this paper
• Radical Replacement Process for Ligated Boryl Radical-Mediated Activation of Unactivated Alkyl Chlorides for C(sp3)–C(sp3) Bond Formation

  2024cited by this paper
• A Radical Strategy for the Alkylation of Amides with Alkyl Halides by Merging Boryl Radical-Mediated Halogen-Atom Transfer and Copper Catalysis.

  2024cited by this paper
• Photoinduced Intermolecular Radical Hydroalkylation of Olefins via Ligated Boryl Radicals-Mediated Halogen Atom Transfer

  2024cited by this paper
• Boryl radical catalysis enables asymmetric radical cycloisomerization reactions

  2023cited by this paper
• Investigation of substituent effect on O-C bond dissociation enthalpy of methoxy group in meta- and para-substituted anisoles.

  2023cited by this paper
• A Systematic Exploration of B–F Bond Dissociation Enthalpies of Fluoroborane-Type Molecules at the CCSD(T)/CBS Level

  2023cited by this paper
• High-Level Quantum Chemical Prediction of C-F Bond Dissociation Energies of Perfluoroalkyl Substances.

  2023cited by this paper
• Boryl Radicals Enabled a Three-Step Sequence to Assemble All-Carbon Quaternary Centers from Activated Trichloromethyl Groups.

  2022cited by this paper
• Difluoromethylation of Unactivated Alkenes Using Freon-22 through Tertiary Amine-Borane-Triggered Halogen Atom Transfer.

  2022cited by this paper
• Application of the Spin-Center Shift in Organic Synthesis

  2022cited by this paper
• Photoinduced Halogen-Atom Transfer by N-Heterocyclic Carbene-Ligated Boryl Radicals for C(sp3)–C(sp3) Bond Formation

  2022cited by this paper
• Lewis Base-Boryl Radicals Enabled Borylation Reactions and Selective Activation of Carbon-Heteroatom Bonds.

  2022cited by this paper
• Correction to "The Bond Dissociation Energy of the N-O Bond".

  2022cited by this paper
• Sequential C–F bond functionalizations of trifluoroacetamides and acetates via spin-center shifts

  2021cited by this paper
• Prediction of organic homolytic bond dissociation enthalpies at near chemical accuracy with sub-second computational cost

  2020cited by this paper
• Amine–Boranes as Transfer Hydrogenation and Hydrogenation Reagents: A Mechanistic Perspective

  2020cited by this paper
• NHC-Boryl Radical Catalysis for Cycloisomerization With C–C Triple Bond Reorganization

  2019cited by this paper
• Progresses on the Application of Stable Borane Adducts in the Synthesis of Organoborons

  2017cited by this paper
• Holy Grails for Computational Organic Chemistry and Biochemistry.

  2017cited by this paper
• Ammonia-Borane and Amine-Borane Dehydrogenation Mediated by Complex Metal Hydrides.

  2016cited by this paper
• Radicals: Reactive Intermediates with Translational Potential

  2016cited by this paper
• Dispersion Corrections Improve the Accuracy of Both Noncovalent and Covalent Interactions Energies Predicted by a Density-Functional Theory Approximation.

  2015cited by this paper
• Synergistic effects of Lewis bases and substituents on the electronic structure and reactivity of boryl radicals.

  2014cited by this paper
• P-substituted phosphine–boranes: Gas phase acidities, basicities and dihydrogen release. A comparison to amine–boranes

  2014cited by this paper
• Gas phase acidities of N-substituted amine-boranes

  2013cited by this paper
• Polarity reversal catalysis in radical reductions of halides by N-heterocyclic carbene boranes.

  2012cited by this paper
• Multiwfn: A multifunctional wavefunction analyzer

  2012cited by this paper
• Effect of the damping function in dispersion corrected density functional theory

  2011cited by this paper
• Synthesis and reactions of N-heterocyclic carbene boranes.

  2011cited by this paper
• Borane-lewis base complexes as homolytic hydrogen atom donors.

  2010cited by this paper
• EPR studies of the generation, structure, and reactivity of n-heterocyclic carbene borane radicals.

  2010cited by this paper
• Amine- and phosphine-borane adducts: new interest in old molecules.

  2010cited by this paper
• Property-optimized gaussian basis sets for molecular response calculations.

  2010cited by this paper
• Ammonia-borane and related compounds as dihydrogen sources.

  2010cited by this paper
• Effect of Lewis base coordination on boryl radical reactivity: investigation using laser flash photolysis and kinetic ESR

  2009cited by this paper
• Long-range corrected hybrid density functionals with damped atom-atom dispersion corrections.

  2008cited by this paper
• The M06 suite of density functionals for main group thermochemistry, thermochemical kinetics, noncovalent interactions, excited states, and transition elements: two new functionals and systematic testing of four M06-class functionals and 12 other functionals

  2008cited by this paper
• Complexes of borane and N-heterocyclic carbenes: a new class of radical hydrogen atom donor.

  2008cited by this paper
• Balanced basis sets of split valence, triple zeta valence and quadruple zeta valence quality for H to Rn: Design and assessment of accuracy.

  2005cited by this paper
• Gaussian basis sets for use in correlated molecular calculations . Ill . The atoms aluminum through argon

  1999cited by this paper
• Exchange functionals with improved long-range behavior and adiabatic connection methods without adjustable parameters: The mPW and mPW1PW models

  1998cited by this paper
• Large Effect on Borane Bond Dissociation Energies Resulting from Coordination by Lewis Bases

  1997cited by this paper
• VMD: visual molecular dynamics.

  1996cited by this paper
• Derivate des Imidazols, VI. Stabile Carben‐Borane

  1993cited by this paper
• Density-functional thermochemistry. III. The role of exact exchange

  1993cited by this paper
• Gaussian basis sets for use in correlated molecular calculations. I. The atoms boron through neon and hydrogen

  1989cited by this paper
• An evaluation of the performance of diffuse function‐augmented basis sets for second row elements, Na‐Cl

  1987cited by this paper
• An electron spin resonance study of phosphine-boryl radicals; their structures and reactions with alkyl halides

  1984cited by this paper
• Efficient diffuse function‐augmented basis sets for anion calculations. III. The 3‐21+G basis set for first‐row elements, Li–F

  1983cited by this paper
• Self‐consistent molecular orbital methods. XXIII. A polarization‐type basis set for second‐row elements

  1982cited by this paper
• Contracted Gaussian basis sets for molecular calculations. I. Second row atoms, Z=11–18

  1980cited by this paper
• Self‐consistent molecular orbital methods. XX. A basis set for correlated wave functions

  1980cited by this paper
• Hydroboration. V. A Study of Convenient New Preparative Procedures for the Hydroboration of Olefins

  1960cited by this paper
• Notes - Preparation of Trialkylboranes or Primary Alcohols from Pyridine Borane and Terminal Olefins

  1958cited by this paper
• Preparation and Properties of Diborane Diphosphine

  1940cited by this paper
• Hydrides of Boron. VII. Evidence of the Transitory Existence of Borine (BH3): Borine Carbonyl and Borine Trimethylammine

  1937cited by this paper

• No citing papers are available for this paper.