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Ionic Bonding and Electron Transfer

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Ions are atoms or molecules bearing an electrical charge. A cation (a positive ion) forms when a neutral atom loses one or more electrons from its valence shell, and an anion (a negative ion) forms when a neutral atom gains one or more electrons in its valence shell. Compounds composed of ions are called ionic compounds (or salts), and their constituent ions are held together by ionic bonds: electrostatic forces of attraction between oppositely charged cations and anions.

Oxidation Numbers

Oxidation Numbers

In redox reactions, the transfer of electrons occurs between reacting species. Electron transfer is described by a hypothetical number called the oxidation number (or oxidation state). It represents the effective charge of an atom or element, which is assigned using a set of rules.

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Metal-Ligand Bonds

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Related Experiment Video

Updated: Feb 13, 2026

Triplet Fusion Upconversion Nanocapsule Synthesis

Triplet Fusion Upconversion Nanocapsule Synthesis

Published on: September 7, 2022

Electron Upconversion Enables CP and CS Bond Formation Under Mild Oxidative Conditions: A Theoretical Study.

Meera Kattoor^1,2, Igor V Alabugin³, Renjith Thomas^1,2

¹Department of Chemistry, St. Berchmans College (Autonomous), Mahatma Gandhi University, Changanassery, Kerala, India.

Journal of Computational Chemistry

|February 12, 2026

Summary

This study introduces a novel, greener organic synthesis pathway for carbon-phosphorous (C-P) and carbon-sulfur (C-S) bonds. It utilizes electron upconversion under basic conditions, avoiding harsh oxidants and side reactions.

Keywords:

C–P bond C–S bond DFT cross‐dehydrogenative coupling electron upconversion

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Area of Science:

Organic Chemistry
Computational Chemistry
Synthetic Methodology

Background:

Traditional methods for C-P and C-S bond formation often rely on strong oxidants.
These oxidants can lead to high-energy intermediates and undesirable side reactions.
There is a need for more controlled and efficient synthetic strategies.

Purpose of the Study:

To investigate an alternative mechanism for C-P and C-S bond formation.
To explore a pathway operating under basic conditions involving electron upconversion.
To compare the efficiency and selectivity of this new pathway against conventional methods.

Main Methods:

Utilized density functional theory (DFT) calculations.
Examined a radical-anionic pathway involving three-electron bond formation.
Investigated the oxidation step using mild oxidants like molecular oxygen.

Main Results:

The proposed radical-anionic pathway is thermodynamically and kinetically favored over traditional two-electron routes.
This mechanism enables C-P and C-S bond construction using only mild oxidants.
Electron upconversion facilitates a more controlled reaction.

Conclusions:

Electron-upconversion mechanisms offer a greener and more selective approach to C-P and C-S bond formation.
This method reduces reliance on strong oxidants, minimizing side reactions.
The findings pave the way for more sustainable synthetic organic chemistry.