Search research articles

ABOUT JoVE

Overview Leadership Blog JoVE Help Center

AUTHORS

Publishing Process Editorial Board Scope & Policies Peer Review FAQ Submit

LIBRARIANS

Testimonials Subscriptions Access Resources Library Advisory Board FAQ

RESEARCH

JoVE Journal Methods Collections JoVE Encyclopedia of Experiments Archive

EDUCATION

JoVE Core JoVE Business JoVE Science Education JoVE Lab Manual Faculty Resource Center Faculty Site

Terms & Conditions of Use

Related Concept Videos

Stereoisomerism

Stereoisomerism

Isomerism in Complexes
Isomers are different chemical species that have the same chemical formula.
Transition metal complexes often exist as geometric isomers, in which the same atoms are connected through the same types of bonds but with differences in their orientation in space. Coordination complexes with two different ligands in the cis and trans positions from a ligand of interest form isomers. For example, the octahedral [Co(NH3)4Cl2]+ ion has two isomers (Figure 1) In the cis...

Regioselectivity and Stereochemistry of Hydroboration

Regioselectivity and Stereochemistry of Hydroboration

A significant aspect of hydroboration–oxidation is the regio- and stereochemical outcome of the reaction.
Hydroboration proceeds in a concerted fashion with the attack of borane on the π bond, giving a cyclic four-centered transition state. The –BH2 group is bonded to the less substituted carbon and –H to the more substituted carbon. The concerted nature requires the simultaneous addition of –H and –BH2 across the same face of the alkene giving syn...

Structural Isomerism

Structural Isomerism

Isomerism in Complexes
Isomers are different chemical species that have the same chemical formula. Structural isomerism of coordination compounds can be divided into two subcategories, the linkage isomers and coordination-sphere isomers.
Linkage isomers occur when the coordination compound contains a ligand that can bind to the transition metal center through two different atoms. For example, the CN− ligand can bind through the carbon atom or through the nitrogen atom. Similarly,...

Hydroboration-Oxidation of Alkenes

Hydroboration-Oxidation of Alkenes

In addition to the oxymercuration–demercuration method, which converts the alkenes to alcohols with Markovnikov orientation, a complementary hydroboration-oxidation method yields the anti-Markovnikov product. The hydroboration reaction, discovered in 1959 by H.C. Brown, involves the addition of a B–H bond of borane to an alkene giving an organoborane intermediate. The oxidation of this intermediate with basic hydrogen peroxide forms an alcohol.

¹H NMR: Complex Splitting

¹H NMR: Complex Splitting

A proton M that is coupled to a proton X results in doublet signals for M. However, NMR-active nuclei can be simultaneously coupled to more than one nonequivalent nucleus. When M is coupled to a second proton A, such as in styrene oxide, each peak in the doublet is split into another doublet.
Splitting diagrams or splitting tree diagrams are routinely used to depict such complex couplings. While drawing splitting diagrams, the splitting with the larger coupling constant is usually applied...

Radical Formation: Homolysis

Radical Formation: Homolysis

A bond is formed between two atoms by sharing two electrons. When this bond is broken by supplying sufficient energy, either two electrons can be taken up by one atom forming ions by the cleavage called heterolysis, or the two electrons are shared by two atoms, with one each creating radicals by the cleavage called homolysis.

You might also read

Related Articles

Articles linked to this work by shared authors, journal, and citation graph.

Sort by

Same author

What is so special about benzene? A comparison of selected carbon and silicon isomers E<sub>6</sub>H<sub>6</sub> (E = C, Si).

Physical chemistry chemical physics : PCCP·2026

Same author

Quadruple Bonding of Alkaline Earth Atoms in AeCLi<sub>4</sub> (Ae = Be - Ba) Complexes.

Journal of computational chemistry·2026

Same author

Atroposelective Dearomative Cross-Coupling of Benzofuran Derivatives by Z-Selective Functionalization of the Vinyl C─O Bond.

Angewandte Chemie (International ed. in English)·2026

Same author

Palladium-Catalyzed Direct C(sp<sup>3</sup>)-H Arylation and Phenethylation of Toluenes with Aryl Iodides and Styrenes.

The Journal of organic chemistry·2026

Same author

Homoleptic and Heteroleptic Carbones L1-C-L2.

Angewandte Chemie (International ed. in English)·2026

Same author

Integrating DFT and Machine Learning for Mechanistic Elucidation and Catalyst Optimization in DAP-Catalyzed Asymmetric Aza-Mislow-Evans Reactions.

The journal of physical chemistry letters·2026

Search research articles

Related Experiment Video

Updated: Apr 25, 2026

Versatile CO2 Transformations into Complex Products: A One-pot Two-step Strategy

Versatile CO2 Transformations into Complex Products: A One-pot Two-step Strategy

Published on: November 9, 2019

Homoleptic and Heteroleptic Borylones L1-B(Ph)-L2.

Qin Ma¹, Wei Li¹, Ya Hu¹

¹State Key Laboratory of Materials-Oriented Chemical Engineering, School of Chemistry and Molecular Engineering, Nanjing Tech University, Nanjing, China.

Angewandte Chemie (International Ed. in English)

|April 24, 2026

Summary

This summary is machine-generated.

Computational studies reveal that borylones, including novel bis-dinitrogen variants, are experimentally observable. Pauli repulsion significantly influences chemical bond strength and length in these compounds.

Keywords:

EDA‐NOCV bond dissociation energy bonding analysis borylone dative bonding

More Related Videos

Synthesis of a Borylated Ibuprofen Derivative Through Suzuki Cross-Coupling and Alkene Boracarboxylation Reactions

Synthesis of a Borylated Ibuprofen Derivative Through Suzuki Cross-Coupling and Alkene Boracarboxylation Reactions

Published on: November 30, 2022

Developing Photosensitizer-Cobaloxime Hybrids for Solar-Driven H2 Production in Aqueous Aerobic Conditions

Developing Photosensitizer-Cobaloxime Hybrids for Solar-Driven H2 Production in Aqueous Aerobic Conditions

Published on: October 5, 2019

Related Experiment Videos

Last Updated: Apr 25, 2026

Versatile CO2 Transformations into Complex Products: A One-pot Two-step Strategy

Versatile CO2 Transformations into Complex Products: A One-pot Two-step Strategy

Published on: November 9, 2019

Synthesis of a Borylated Ibuprofen Derivative Through Suzuki Cross-Coupling and Alkene Boracarboxylation Reactions

Synthesis of a Borylated Ibuprofen Derivative Through Suzuki Cross-Coupling and Alkene Boracarboxylation Reactions

Published on: November 30, 2022

Developing Photosensitizer-Cobaloxime Hybrids for Solar-Driven H2 Production in Aqueous Aerobic Conditions

Developing Photosensitizer-Cobaloxime Hybrids for Solar-Driven H2 Production in Aqueous Aerobic Conditions

Published on: October 5, 2019

Area of Science:

Computational Chemistry
Quantum Chemistry
Inorganic Chemistry

Background:

Borylones represent a class of boron-containing compounds with potential for diverse applications.
Understanding the stability and bonding characteristics of borylones is crucial for their synthesis and utilization.

Purpose of the Study:

To computationally investigate the stability and bonding of homoleptic and heteroleptic borylones.
To explore the feasibility of synthesizing and characterizing novel borylone structures, such as bis-dinitrogen borylones.

Main Methods:

Density Functional Theory (DFT) calculations at the BP86-D3(BJ)/def2-TZVPP level.
Ab initio theory calculations at the Coupled Cluster Singles Doubles with Perturbative Triples (CCSD(T))/def2-TZVPP level.
Energy Decomposition Analysis with Natural Orbitals for Chemical Valence (EDA-NOCV) was employed.

Main Results:

All investigated borylones exhibit sufficient bond dissociation energy (BDE) for experimental observation.
Homoleptic borylones B(Ph)(N2)2 and B(Ph)(SPH2)2 show higher BDEs than analogous carbones.
Boron-ligand bonds in heteroleptic borylones exhibit mutual influence, altering bond strengths.
Pauli repulsion is identified as a dominant factor in determining chemical bond strength and length.

Conclusions:

The computational results suggest that various borylones, including bis-dinitrogen derivatives, are stable enough for experimental synthesis and characterization.
The interplay of electronic and geometric factors significantly impacts the thermodynamic stability of borylones.
EDA-NOCV analysis highlights the critical role of Pauli repulsion in chemical bonding.