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Pericyclic Reactions: Introduction

Pericyclic Reactions: Introduction

Pericyclic reactions are organic reactions that occur via a concerted mechanism without generating any intermediates. The reactions proceed through the movement of electrons in a closed loop to form a cyclic transition state, where rearrangement of the σ and π bonds yields specific products.
Pericyclic reactions can be classified into three categories: electrocyclic reactions, cycloaddition reactions, and sigmatropic rearrangements. Electrocyclic reactions and sigmatropic...

Thermal and Photochemical Electrocyclic Reactions: Overview

Thermal and Photochemical Electrocyclic Reactions: Overview

Electrocyclic reactions are reversible reactions. They involve an intramolecular cyclization or ring-opening of a conjugated polyene. Shown below are two examples of electrocyclic reactions. In the first reaction, the formation of the cyclic product is favored. In contrast, in the second reaction, ring-opening is favored due to the high ring strain associated with cyclobutene formation.

Spin–Spin Coupling: Two-Bond Coupling (Geminal Coupling)

Spin–Spin Coupling: Two-Bond Coupling (Geminal Coupling)

Two NMR-active nuclei bonded to a central atom can be involved in geminal or two-bond coupling. Geminal coupling is commonly seen between diastereotopic protons in chiral molecules and unsymmetrical alkenes, among others.
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...

Thermal Electrocyclic Reactions: Stereochemistry

Thermal Electrocyclic Reactions: Stereochemistry

The stereochemistry of electrocyclic reactions is strongly influenced by the orbital symmetry of the polyene HOMO. Under thermal conditions, the reaction proceeds via the ground-state HOMO.
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.

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Related Experiment Video

Updated: Aug 9, 2025

Demonstration of Spin-Multiplexed and Direction-Multiplexed All-Dielectric Visible Metaholograms

Demonstration of Spin-Multiplexed and Direction-Multiplexed All-Dielectric Visible Metaholograms

Published on: September 25, 2020

Perylene-based molecular device: multifunctional spintronic and spin caloritronic applications.

Xuming Wu^1,2, Shifa Xiao¹, Jun Quan¹

¹College of Physical Science and Technology, Lingnan Normal University, 524048 Zhanjiang, China. chunhuatian@lingnan.edu.cn.

Physical Chemistry Chemical Physics : PCCP

|February 24, 2023

Summary

This study designs a novel carbon-based molecular spintronic device with integrated spintronic and spin caloritronic functions. The device shows excellent thermospin performance, paving the way for advanced nanoscale applications.

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Last Updated: Aug 9, 2025

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Ultrahigh Density Array of Vertically Aligned Small-molecular Organic Nanowires on Arbitrary Substrates

Ultrahigh Density Array of Vertically Aligned Small-molecular Organic Nanowires on Arbitrary Substrates

Published on: June 18, 2013

Area of Science:

Nanoscale science and technology
Spintronics and molecular electronics
Quantum materials

Background:

Carbon-based magnetic molecular junctions offer atomic thinness, high stability, and unique magnetism for spintronic devices.
Developing integrated spintronic and spin caloritronic devices is crucial for next-generation electronics.

Purpose of the Study:

To design and investigate a carbon-based molecular spintronic device with combined spintronic and spin caloritronic functionalities.
To explore the effects of phonon vibrations and asymmetrical contact configurations on device performance.

Main Methods:

First-principles calculations and non-equilibrium Green's function (NEGF) methods were employed.
A device architecture comprising carbon atomic chains, zigzag-edged graphene nanoribbon (ZGNR), and a perylene molecule was designed.
Phonon vibration effects and asymmetrical contact configurations were analyzed.

Main Results:

The designed device exhibits bias-voltage driven spin filtering, negative differential resistance, and giant magnetoresistance.
Temperature gradients induce spin Seebeck effect, thermal spin filtering, high thermal magnetoresistance, and thermal colossal giant magnetoresistance.
Phonon effects enhance spin and charge thermoelectric figure of merits (ZTsp and ZTch), with ZTsp significantly exceeding ZTch.

Conclusions:

The perylene-based molecular device demonstrates multifunctional spintronic and spin caloritronic capabilities.
Asymmetrical contacts effectively reduce phonon thermal conductivity, optimizing thermoelectric performance.
The study highlights the potential for advanced thermospin applications using this molecular device.