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Related Concept Videos

Thermal Electrocyclic Reactions: Stereochemistry01:17

Thermal Electrocyclic Reactions: Stereochemistry

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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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UV–Vis Spectroscopy: Molecular Electronic Transitions01:16

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In Ultraviolet–Visible (UV–Vis) spectroscopy, the absorption of electromagnetic radiation is used to probe the electronic structure of molecules. This technique provides insights into molecular electronic transitions, particularly the movement of electrons between different molecular orbitals. Radiation is absorbed if the energy of the electromagnetic radiation passing through the molecule is precisely equal to the energy difference between the excited and ground states. During this...
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Electrophilic Addition of HX to 1,3-Butadiene: Thermodynamic vs Kinetic Control01:23

Electrophilic Addition of HX to 1,3-Butadiene: Thermodynamic vs Kinetic Control

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The addition of a hydrogen halide to 1,3-butadiene gives a mixture of 1,2- and 1,4-adducts. Since more substituted alkenes are more stable, the 1,4-adduct is expected to be the major product. However, the product distribution is strongly influenced by temperature; low temperature favors the 1,2-adduct, whereas the 1,4-adduct is predominant at high temperature.
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IR Absorption Frequency: Hybridization01:21

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Hydrocarbons such as alkanes, alkenes, and alkynes show characteristic C–H stretching absorption bands. These IR stretching frequencies depend on the hybridization of the involved carbon atom and can be explained in terms of the s character of each hybridized atomic orbital.
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¹H NMR of Conformationally Flexible Molecules: Temporal Resolution00:52

¹H NMR of Conformationally Flexible Molecules: Temporal Resolution

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At room temperature, the chair conformer of cyclohexane undergoes rapid ring flipping between two equivalent chair conformers at a rate of approximately 105 times per second. These two chair conformers are in equilibrium. The rapid ring flipping results in the interconversion of the axial proton to an equatorial proton and an equatorial to the axial proton. Such interconversions are too rapid and cannot be detected on the NMR timescale. Hence, the NMR spectrometer cannot distinguish between the...
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Thermal Sigmatropic Reactions: Overview01:16

Thermal Sigmatropic Reactions: Overview

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Sigmatropic rearrangements are a class of pericyclic reactions in which a σ bond migrates from one part of a π system to another. These are intramolecular rearrangements where the total number of σ and π bonds remain unchanged.
Sigmatropic shifts are classified based on an order term [i, j ], where i and j indicate the number of atoms across which each end of the σ bond migrates. Below are examples of a [3,3] sigmatropic shift in...
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Updated: Sep 13, 2025

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Computational study of terahertz-driven controllable molecular isomerization.

Zhi Zhu1, Shiyu Gu2, Chao Chang3,4

  • 1School of Optical-Electrical and Computer Engineering, University of Shanghai for Science and Technology, Shanghai, 200093, China.

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|August 1, 2025
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Researchers developed a novel terahertz (THz) light-driven method for precise molecular isomerization. This non-invasive technique allows controllable and reversible conformational changes, opening new avenues in biochemical process manipulation.

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Area of Science:

  • Biophysics
  • Molecular Biology
  • Physical Chemistry

Background:

  • Molecular isomerization is crucial for biological processes.
  • Controlling molecular conformation is key for physiological functions and inhibiting adverse activities.
  • Developing molecule-specific, non-invasive, and reversible isomerization methods is highly desirable for complex biosystems.

Purpose of the Study:

  • To present a strategy for frequency-specific terahertz (THz) light-driven, controllable, and reversible molecular isomerization.
  • To demonstrate the generalizability of this approach to various molecular systems.

Main Methods:

  • Utilizing molecular dynamic simulations to study controlled rotation around sigma bonds in molecular moieties.
  • Applying frequency-specific THz irradiation to induce resonant energy transfer.
  • Overcoming energy barriers between distinct isomers through targeted energy absorption.

Main Results:

  • A novel strategy for controllable and reversible molecular isomerization driven by THz light was successfully developed.
  • The method relies on resonant energy transfer from THz irradiation to specific molecular moiety rotations.
  • The approach was demonstrated to be broadly applicable, including the rotation of an amino acid within aquaporin-4.

Conclusions:

  • The developed THz-driven isomerization strategy offers precise molecular conformation manipulation.
  • This technique enables tunable and controllable biochemical processes.
  • The findings highlight the potential of advanced THz technologies for molecular-level biological applications.