Related Concept Videos
Alkynes to Aldehydes and Ketones: Hydroboration-Oxidation
One of the convenient methods for the preparation of aldehydes and ketones is via hydration of alkynes. Hydroboration-oxidation of alkynes is an indirect hydration reaction in which an alkyne is treated with borane followed by oxidation with alkaline peroxide to form an enol that rapidly converts into an aldehyde or a ketone. Terminal alkynes form aldehydes, whereas internal alkynes give ketones as the final product.
Photochemical Electrocyclic Reactions: Stereochemistry
Selection Rules: Photochemical Activation
Thermal Electrocyclic Reactions: Stereochemistry
Selection Rules: Thermal Activation
Conjugated systems containing an even number of π-electron pairs undergo a conrotatory ring closure. For example, thermal electrocyclization of (2E,4E)-2,4-hexadiene, a conjugated diene containing two π-electron pairs, gives trans-3,4-dimethylcyclobutene.
Spin–Spin Coupling: Two-Bond Coupling (Geminal Coupling)
The central atom need not be NMR-active because its electrons are affected by the electron polarization of the spin-active atoms. However, spin information is transmitted less effectively than in one-bond coupling, and 2J values are usually weaker than 1J values. The energy of...
Reduction of Alkynes to cis-Alkenes: Catalytic Hydrogenation
Like alkenes, alkynes can be reduced to alkanes in the presence of transition metal catalysts such as Pt, Pd, or Ni. The reaction involves two sequential syn additions of hydrogen via a cis-alkene intermediate.
Thermal and Photochemical Electrocyclic Reactions: Overview
You might also read
Related Articles
Articles linked to this work by shared authors, journal, and citation graph.
Protective Role of Oxides on Pb-Free Halide Perovskite Surfaces: Interfacial Effects and Excitonic Optical Properties from First-Principles.
CO<sub>2</sub> Adsorption and Photocatalytic Reduction Mechanisms on TiO<sub>2</sub>‑Terminated CaTiO<sub>3</sub>(100): A Density Functional Theory Study.
Narrow-Diameter Tubular One-Dimensional van der Waals Heterostructures.
Related Experiment Video
Updated: May 23, 2026

Synthesis and Performance Characterizations of Transition Metal Single Atom Catalyst for Electrochemical CO2 Reduction
Published on: April 10, 2018
Alternative graph-4-yne stacking fashion: toward selective CO2 capture.
Luca Mancini1, Giacomo Giorgi2,3,4,5, Yusuf Bramastya Apriliyanto6
1Dipartimento di Chimica, Biologia e Biotecnologie, Università degli Studi di Perugia, 06123, Perugia, Italy. luca.mancini@unipg.it.
We studied graphtetrayne bilayers and found a stable stacking configuration. This bilayer structure shows a strong preference for capturing carbon dioxide (CO2), indicating potential for CO2 capture applications.
Area of Science:
- Materials Science
- Computational Chemistry
- Nanotechnology
Background:
- Graphtetrayne is a novel 2D carbon-rich material derived from graphene.
- Understanding stacking configurations is crucial for its application potential.
Purpose of the Study:
- Investigate stacking configurations of bilayer and trilayer graphtetrayne.
- Evaluate the CO2 capture capabilities of graphtetrayne bilayers.
Main Methods:
- Combined classical molecular dynamics (MD) with *ab initio* calculations.
- Utilized the improved Lennard-Jones (ILJ) potential for MD simulations.
- Analyzed CO2/N2 mixture interactions with graphtetrayne bilayers.
Main Results:
- Identified a highly stable gas-phase stacking configuration for graphtetrayne bilayers.
- Graphtetrayne bilayers exhibit a significant preference for CO2 uptake over N2.
- Favorable quadrupole-π interactions and pore morphology drive selective CO2 adsorption.
Conclusions:
- The identified bilayer stacking mode is more stable than previously reported configurations.
- Graphtetrayne bilayers show promise for selective CO2 capture applications.
- Carbon-based nanomaterials like graphtetrayne are potential candidates for environmental and energy technologies.

