Related Experiment Video
Updated: Mar 25, 2026
08:51
Coulomb Explosion Imaging as a Tool to Distinguish Between Stereoisomers
Published on: August 18, 2017
11.1K
Quantum Entanglement and Chemical Reactivity.
Journal of Chemical Theory and Computation
|February 20, 2016
Summary
Quantum entanglement reveals chemical reactivity, showing molecular geometry and reaction pathways. This approach identifies bond cleavage in water molecules and transition states in chemical reactions.
Area of Science:
- Quantum chemistry
- Chemical physics
- Quantum information theory
Background:
- Understanding molecular geometry and chemical reaction dynamics is crucial in chemistry.
- Quantum entanglement, a key feature of quantum mechanics, has potential applications beyond fundamental physics.
Purpose of the Study:
- To explore quantum entanglement features relevant to chemical reactions.
- To demonstrate the necessity of both energetic and quantum-information approaches for a complete understanding of molecular systems and reactions.
Main Methods:
- Utilizing the water molecule and a hydrogenic abstraction reaction as models.
- Analyzing energy and entanglement hypersurfaces and contour maps.
- Applying quantum entanglement as a descriptor for chemical reactivity.
Main Results:
- Energy maps show stable molecular geometries.
- Entanglement maps reveal the chemical system's ability to transform.
- Quantum entanglement identified bond cleavage in water dissociation and transition states in reactions.
Conclusions:
- Quantum entanglement provides insights into chemical reactivity and reaction pathways.
- Combining energetic and quantum-information approaches is essential for a full understanding of chemical systems.
- Quantum entanglement can serve as a descriptor for chemical reactivity, pinpointing critical reaction states.
More Related Videos
08:22Measurement of Ultrafast Vibrational Coherences in Polyatomic Radical Cations with Strong-Field Adiabatic Ionization
Published on: August 6, 2018
7.4K
10:52Line Shape Analysis of Dynamic NMR Spectra for Characterizing Coordination Sphere Rearrangements at a Chiral Rhenium Polyhydride Complex
Published on: July 27, 2022
3.5K
Related Concept Videos
01:19Chemical Reactions
97.6K
A chemical reaction is a process by which the bonds in the atoms of substances are rearranged to generate new substances. Matter cannot be created or destroyed in a chemical reaction—the same type and number of atoms that make up the reactants are still present in the products. Merely, the rearrangement of chemical bonds produces new compounds.
Chemical Reactions Rearrange Atoms into New Substances
A chemical reaction takes starting materials—the reactants—and changes them...
Chemical Reactions Rearrange Atoms into New Substances
A chemical reaction takes starting materials—the reactants—and changes them...
97.6K
02:26Chemical Reactions
14.0K
A balanced chemical equation provides the information of chemical formulas of the reactants and products involved in the chemical change. A reaction’s stoichiometry helps predict how much of the reactant is needed to produce the desired amount of product, or in some cases, how much product will be formed from a specific amount of the reactant.
The relative amounts of reactants and products represented in a balanced chemical equation are often referred to as stoichiometric amounts. However, in...
The relative amounts of reactants and products represented in a balanced chemical equation are often referred to as stoichiometric amounts. However, in...
14.0K
02:35Reaction Quotient
55.3K
The status of a reversible reaction is conveniently assessed by evaluating its reaction quotient (Q). For a reversible reaction described by m A + n B ⇌ x C + y D, the reaction quotient is derived directly from the stoichiometry of the balanced equation as
55.3K
02:40Chemical Bonds
24.0K
Atoms participate in a chemical bond formation to acquire a completed valence-shell electron configuration similar to that of the noble gas nearest to it in atomic number. Ionic, covalent, and metallic bonds are some of the important types of chemical bonds. Bond energy and bond length determine the strength of a chemical bond.
Types of Chemical Bonds
An ionic bond is formed due to electrostatic attraction between cations and anions. Often, the ions are formed by the transfer of electrons...
24.0K
02:55Temperature Dependence on Reaction Rate
90.9K
The Collision Theory
Atoms, molecules, or ions must collide before they can react with each other. Atoms must be close together to form chemical bonds. This premise is the basis for a theory that explains many observations regarding chemical kinetics, including factors affecting reaction rates.
The collision theory is based on the postulates that (i) the reaction rate is proportional to the rate of reactant collisions, (ii) the reacting species collide in an orientation allowing contact between...
Atoms, molecules, or ions must collide before they can react with each other. Atoms must be close together to form chemical bonds. This premise is the basis for a theory that explains many observations regarding chemical kinetics, including factors affecting reaction rates.
The collision theory is based on the postulates that (i) the reaction rate is proportional to the rate of reactant collisions, (ii) the reacting species collide in an orientation allowing contact between...
90.9K
01:27Inductive Effects on Chemical Shift: Overview
2.5K
The protons in unsubstituted alkanes are strongly shielded with chemical shifts below 1.8 ppm. Methine, methylene, and methyl protons appear at approximately 1.7, 1.2 and 0.7 ppm, while the proton signal from methane appears at 0.23 ppm. An electronegative substituent, such as chlorine, withdraws the electron density from the protons, increasing their chemical shift. Progressive substitution of the hydrogens in methane by chlorine shifts the proton signals increasingly downfield, to 3.05 ppm in...
2.5K