Jove
Visualize
Contáctanos
JoVE
x logofacebook logolinkedin logoyoutube logo
ACERCA DE JoVE
Visión GeneralLiderazgoBlogCentro de Ayuda JoVE
AUTORES
Proceso de PublicaciónConsejo EditorialAlcance y PolíticasRevisión por ParesPreguntas FrecuentesEnviar
BIBLIOTECARIOS
TestimoniosSuscripcionesAccesoRecursosConsejo Asesor de BibliotecasPreguntas Frecuentes
INVESTIGACIÓN
JoVE JournalMethods CollectionsJoVE Encyclopedia of ExperimentsArchivo
EDUCACIÓN
JoVE CoreJoVE BusinessJoVE Science EducationJoVE Lab ManualCentro de Recursos para ProfesoresSitio de Profesores
Términos y Condiciones de Uso
Política de Privacidad
Políticas

Videos de Conceptos Relacionados

Hybridization of Atomic Orbitals I03:24

Hybridization of Atomic Orbitals I

69.2K
The mathematical expression known as the wave function, ψ, contains information about each orbital and the wavelike properties of electrons in an isolated atom. When atoms are bound together in a molecule, the wave functions combine to produce new mathematical descriptions that have different shapes. This process of combining the wave functions for atomic orbitals is called hybridization and is mathematically accomplished by the linear combination of atomic orbitals. The new orbitals that...
69.2K
Radical Substitution: Hydrogenolysis of Alkyl Halides with Tributyltin Hydride01:26

Radical Substitution: Hydrogenolysis of Alkyl Halides with Tributyltin Hydride

2.3K
Radical substitution reactions can be used to remove functional groups from molecules. The hydrogenolysis of alkyl halides is one such reaction, where the weak Sn–H bond in tributyltin hydride reacts with alkyl halides to form alkanes. Here, the reagent Bu3SnH yields tributyltin halide as a byproduct.
The bonds formed in this reaction are stronger than the bonds broken, making it energetically favorable. The reaction follows a radical chain mechanism similar to radical halogenation reactions,...
2.3K
Reduction of Alkenes: Catalytic Hydrogenation02:13

Reduction of Alkenes: Catalytic Hydrogenation

14.8K
Alkenes undergo reduction by the addition of molecular hydrogen to give alkanes. Because the process generally occurs in the presence of a transition-metal catalyst, the reaction is called catalytic hydrogenation.
Metals like palladium, platinum, and nickel are commonly used in their solid forms — fine powder on an inert surface. As these catalysts remain insoluble in the reaction mixture, they are referred to as heterogeneous catalysts.
The hydrogenation process takes place on the...
14.8K

También podría leer

Artículos Relacionados

Artículos vinculados a este trabajo por autores compartidos, revista y gráfico de citas.

Ordenar por
Same author

Pillared graphene oxide frameworks for the adsorption and separation of polar protic and aprotic liquid solvents: The cases of pure water, methanol, dimethyl sulfoxide, and dimethyl sulfoxide-water mixtures.

The Journal of chemical physics·2024
Same author

Covalently linked benzothiadiazole-fullerene adducts for organic optoelectronic devices: synthesis and characterization.

RSC advances·2022
Same author

CF<sub>4</sub> Capture and Separation of CF<sub>4</sub>-SF<sub>6</sub> and CF<sub>4</sub>-N<sub>2</sub> Fluid Mixtures Using Selected Carbon Nanoporous Materials and Metal-Organic Frameworks: A Computational Study.

ACS omega·2022
Same author

Vanillin chitosan miscible hydrogel blends and their prospects for 3D printing biomedical applications.

International journal of biological macromolecules·2021
Same author

Dissolution Enhancement and Controlled Release of Paclitaxel Drug via a Hybrid Nanocarrier Based on mPEG-PCL Amphiphilic Copolymer and Fe-BTC Porous Metal-Organic Framework.

Nanomaterials (Basel, Switzerland)·2020
Same author

Effect of Poly(vinyl alcohol) on Nanoencapsulation of Budesonide in Chitosan Nanoparticles via Ionic Gelation and Its Improved Bioavailability.

Polymers·2020

Video Experimental Relacionado

Updated: Mar 25, 2026

Ligand Nano-cluster Arrays in a Supported Lipid Bilayer
10:34

Ligand Nano-cluster Arrays in a Supported Lipid Bilayer

Published on: April 23, 2017

7.3K

Nanocúmulos de berilio totalmente hidrogenados

Emmanuel N Koukaras1, Aris P Sgouros2,3, Michael M Sigalas3

  • 1Nanotechnology and Advanced Materials Laboratory, Department of Chemical Engineering, University of Patras , 26500 GR Patras, Greece.

Journal of the American Chemical Society
|February 25, 2016
PubMed
Resumen

Exploramos las estructuras de nanocluster BenH2n usando la teoría funcional de la densidad. Los nanocúmulos saturados no pueden retener hidrógeno molecular, contrariamente a las expectativas anteriores.

Más Videos Relacionados

Preparation and Reactivity of Gasless Nanostructured Energetic Materials
09:50

Preparation and Reactivity of Gasless Nanostructured Energetic Materials

Published on: April 2, 2015

10.7K
Synthesis of Bimetallic Pt/Sn-based Nanoparticles in Ionic Liquids
07:14

Synthesis of Bimetallic Pt/Sn-based Nanoparticles in Ionic Liquids

Published on: August 23, 2018

9.6K

Videos de Experimentos Relacionados

Last Updated: Mar 25, 2026

Ligand Nano-cluster Arrays in a Supported Lipid Bilayer
10:34

Ligand Nano-cluster Arrays in a Supported Lipid Bilayer

Published on: April 23, 2017

7.3K
Preparation and Reactivity of Gasless Nanostructured Energetic Materials
09:50

Preparation and Reactivity of Gasless Nanostructured Energetic Materials

Published on: April 2, 2015

10.7K
Synthesis of Bimetallic Pt/Sn-based Nanoparticles in Ionic Liquids
07:14

Synthesis of Bimetallic Pt/Sn-based Nanoparticles in Ionic Liquids

Published on: August 23, 2018

9.6K

Área de la Ciencia:

  • Química computacional
  • Ciencias de los materiales
  • Nanotecnología

Sus antecedentes:

  • Los nanocúmulos de hidruro de berilio (BenH2n) son materiales potenciales de almacenamiento de hidrógeno.
  • Comprender sus propiedades estructurales y energéticas es crucial para el diseño de materiales.

Objetivo del estudio:

  • Para predecir el estado fundamental y las estructuras de baja energía de los nanocúmulos de BenH2n.
  • Para investigar sus capacidades de almacenamiento de hidrógeno.

Principales métodos:

  • Teoría funcional de la densidad (DFT) con el funcional M06.
  • Comparación con los cálculos de las CCSD de los grupos acoplados.
  • Simulaciones de dinámica molecular desde el principio (AIMD).

Principales resultados:

  • Para n > 9, las estructuras de anillos y enlaces se prefieren a las formas lineales/polímeros.
  • Espectro infrarrojo computarizado para varias estructuras.
  • Las formas poliméricas saturadas no retienen hidrógeno molecular sin correcciones de energía del punto cero.

Conclusiones:

  • La evolución estructural de los nanocúmulos de BenH2n depende del tamaño.
  • Los métodos teóricos precisos son esenciales para predecir las propiedades.
  • La capacidad de almacenamiento de hidrógeno de los nanocúmulos de BenH2n saturados es limitada.