Jove
Visualize
Contact Us
JoVE
x logofacebook logolinkedin logoyoutube logo
ABOUT JoVE
OverviewLeadershipBlogJoVE Help Center
AUTHORS
Publishing ProcessEditorial BoardScope & PoliciesPeer ReviewFAQSubmit
LIBRARIANS
TestimonialsSubscriptionsAccessResourcesLibrary Advisory BoardFAQ
RESEARCH
JoVE JournalMethods CollectionsJoVE Encyclopedia of ExperimentsArchive
EDUCATION
JoVE CoreJoVE BusinessJoVE Science EducationJoVE Lab ManualFaculty Resource CenterFaculty Site
Terms & Conditions of Use
Privacy Policy
Policies

Related Concept Videos

¹H NMR: Long-Range Coupling01:27

¹H NMR: Long-Range Coupling

The coupling interactions of nuclei across four or more bonds are usually weak, with J values less than 1 Hz. While these are usually not observed in spectra, the presence of multiple bonds along the coupling pathway can result in observable long-range coupling.
In alkenes, spin information is communicated via σ–π overlap, as seen in allylic (four-bond) and homoallylic (five-bond) couplings. These coupling interactions are stronger when the σ bond is parallel to the alkene π orbitals.
Intermolecular Forces03:13

Intermolecular Forces

Atoms and molecules interact through bonds (or forces): intramolecular and intermolecular. The forces are electrostatic as they arise from interactions (attractive or repulsive) between charged species (permanent, partial, or temporary charges) and exist with varying strengths between ions, polar, nonpolar, and neutral molecules. The different types of intermolecular forces are ion–dipole, dipole–dipole, hydrogen bonds, and dispersion; among these, dipole–dipole, hydrogen bonds, and dispersion...
Alkyl Halides02:45

Alkyl Halides

Structural Properties
Alkyl halides are halogen-substituted alkanes wherein one or more hydrogen atoms of an alkane is replaced by a halogen atom such as fluorine, chlorine, bromine, or iodine. The carbon atom in an alkyl halide is bonded to the halogen atom, which is sp3-hybridized and exhibits a tetrahedral shape.
Unlike alkyl halides, compounds in which a halogen atom is bonded to an sp2 -hybridized carbon atom of a carbon-carbon double bond (C=C) are called vinyl halides. Whereas aryl...
Acid Halides to Alcohols: LiAlH4 Reduction01:19

Acid Halides to Alcohols: LiAlH4 Reduction

Acid halides are reduced to alcohols in the presence of a strong reducing agent like lithium aluminum hydride.
The mechanism proceeds in three steps. First, the nucleophilic hydride ion attacks the carbonyl carbon of the acid halide to form a tetrahedral intermediate. Next, the carbonyl group is re-formed, and the halide ion departs as a leaving group, generating an aldehyde. A second nucleophilic attack by the hydride yields an alkoxide ion, which, upon protonation, gives a primary alcohol as...
Reduction of Alkynes to trans-Alkenes: Sodium in Liquid Ammonia02:10

Reduction of Alkynes to trans-Alkenes: Sodium in Liquid Ammonia

Alkynes can be reduced to trans-alkenes using sodium or lithium in liquid ammonia. The reaction, known as dissolving metal reduction, proceeds with an anti addition of hydrogen across the carbon–carbon triple bond to form the trans product. Since ammonia exists as a gas (bp = −33°C) at room temperature, the reaction is carried out at low temperatures using a mixture of dry ice (sublimes at −78°C) and acetone.
When dissolved in liquid ammonia, an alkali metal, such as sodium, dissociates into a...
Transport Number01:31

Transport Number

The transport number is the fraction of the total current carried by an ion in an electrolyte solution. It is defined as the ratio of the current carried by a specific ion to the total current flowing through the solution. The transport number, t, is central to understanding ionic mobility, which describes how fast an ion moves under the influence of an electric field. This link connects the physical behavior of ions in solution to the chemical processes that occur during electrochemical...

You might also read

Related Articles

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

Sort by
Same author

Shadow Hamiltonian in molecular dynamics simulations: Against a possible suggested misuse of its physical meaning.

The Journal of chemical physics·2026
Same author

Correcting Systematic Parametrization Errors in Underdamped Langevin Models of Molecular Dynamics Trajectories.

Physical review letters·2026
Same author

Mass-zero constrained molecular dynamics for electrostatic interactions.

The Journal of chemical physics·2025
Same author

The Dawn of Alchemical Free-Energy Methods in Biomolecular Simulations.

The journal of physical chemistry. B·2025
Same author

Electrically driven first-order phase transition of a 2D ionic crystal at the electrode/electrolyte interface.

Proceedings of the National Academy of Sciences of the United States of America·2025
Same author

A NEMD approach to the melt-front evolution under gravity.

The Journal of chemical physics·2025
Same journal

Stability constants of lanthanide-nitrate complexes in aqueous solutions: a theoretical study.

Physical chemistry chemical physics : PCCP·2026
Same journal

Lead-free Cs<sub>3</sub>MnCl<sub>5</sub> and CsMnCl<sub>3</sub> crystals: rapid on-chip crystallization, phase transition and fluorescence sensing applications.

Physical chemistry chemical physics : PCCP·2026
Same journal

F-Interstitial passivation preserves host-like optoelectronic properties in <sup>229</sup>Th:YLF nuclear-clock platforms.

Physical chemistry chemical physics : PCCP·2026
Same journal

Structural trends of tryptophan dimer: hydrogen bonding <i>versus</i> π-stacking from an energy decomposition analysis perspective.

Physical chemistry chemical physics : PCCP·2026
Same journal

Achieving high thermoelectric performance in Sb<sub>2</sub>Se<sub>3</sub>-alloyed GeTe through synergistic optimization of electrical and thermal transport.

Physical chemistry chemical physics : PCCP·2026
Same journal

Ultraviolet perfect absorption leveraging bound states in the continuum in an Al/SiO<sub>2</sub> hybrid system.

Physical chemistry chemical physics : PCCP·2026
See all related articles

Related Experiment Video

Updated: Jun 2, 2026

Quantification of Hydrogen Concentrations in Surface and Interface Layers and Bulk Materials through Depth Profiling with Nuclear Reaction Analysis
14:11

Quantification of Hydrogen Concentrations in Surface and Interface Layers and Bulk Materials through Depth Profiling with Nuclear Reaction Analysis

Published on: March 29, 2016

Short range hydrogen diffusion in Na3AlH6.

Michele Monteferrante1, Sara Bonella, Giovanni Ciccotti

  • 1Dipartimento di Fisica Università La Sapienza, P.le A. Moro 5, Roma, Italy.

Physical Chemistry Chemical Physics : PCCP
|April 12, 2011
PubMed
Summary
This summary is machine-generated.

Ab initio calculations reveal hydrogen vacancy mobility in sodium alanates. Neutron scattering matches a diffusing vacancy, but anelastic spectroscopy results contradict existing theories.

More Related Videos

Hydrogen Charging of Aluminum using Friction in Water
07:50

Hydrogen Charging of Aluminum using Friction in Water

Published on: January 28, 2020

Neutron Crystallography Data Collection and Processing for Modelling Hydrogen Atoms in Protein Structures
10:10

Neutron Crystallography Data Collection and Processing for Modelling Hydrogen Atoms in Protein Structures

Published on: December 1, 2020

Related Experiment Videos

Last Updated: Jun 2, 2026

Quantification of Hydrogen Concentrations in Surface and Interface Layers and Bulk Materials through Depth Profiling with Nuclear Reaction Analysis
14:11

Quantification of Hydrogen Concentrations in Surface and Interface Layers and Bulk Materials through Depth Profiling with Nuclear Reaction Analysis

Published on: March 29, 2016

Hydrogen Charging of Aluminum using Friction in Water
07:50

Hydrogen Charging of Aluminum using Friction in Water

Published on: January 28, 2020

Neutron Crystallography Data Collection and Processing for Modelling Hydrogen Atoms in Protein Structures
10:10

Neutron Crystallography Data Collection and Processing for Modelling Hydrogen Atoms in Protein Structures

Published on: December 1, 2020

Area of Science:

  • Materials Science
  • Computational Chemistry
  • Solid-State Physics

Background:

  • Sodium alanates exhibit complex hydrogen mobility.
  • Neutron scattering and anelastic spectroscopy detect distinct activated processes.

Purpose of the Study:

  • Investigate two activated mobility processes in sodium alanates.
  • Clarify the atomic mechanisms behind experimental observations.

Main Methods:

  • Ab initio free energy and rate calculations.
  • Modeling Na(3)AlH(6) with a hydrogen vacancy.

Main Results:

  • Identified neutron scattering process: positively charged hydrogen vacancy diffusion.
  • Contradicted anelastic spectroscopy hypothesis: ruled out local H vacancy rearrangement around Al.

Conclusions:

  • Provided atomistic insights into hydrogen mobility in sodium alanates.
  • Challenged existing interpretations of anelastic spectroscopy data.