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

π Electron Effects on Chemical Shift: Overview01:27

π Electron Effects on Chemical Shift: Overview

1.0K
An applied magnetic field causes loosely bound π-electrons in organic molecules to circulate, producing a local or induced diamagnetic field over a large spatial volume. As the molecules tumble in solution, the field generated by π-electrons in spherical substituents results in a zero net field. However, the net field generated by π-electrons in non-spherical substituents is not zero. The effect of this induced field depends on the orientation of the molecule with respect to B0,...
1.0K
Valence Bond Theory and Hybridized Orbitals02:38

Valence Bond Theory and Hybridized Orbitals

18.5K
According to valence bond theory, a covalent bond results when: (1) an orbital on one atom overlaps an orbital on a second atom, and (2) the single electrons in each orbital combine to form an electron pair. The strength of a covalent bond depends on the extent of overlap of the orbitals involved. Maximum overlap is possible when the orbitals overlap on a direct line between the two nuclei.
A σ bond (single bond in a Lewis structure) is a covalent bond in which the electron density is...
18.5K
Quantum Numbers02:43

Quantum Numbers

34.1K
It is said that the energy of an electron in an atom is quantized; that is, it can be equal only to certain specific values and can jump from one energy level to another but not transition smoothly or stay between these levels.
34.1K
Radicals: Electronic Structure and Geometry01:07

Radicals: Electronic Structure and Geometry

3.8K
This lesson delves into the geometry of a radical, which is influenced by the electronic structure of the molecule. The principle is similar to that of a lone pair, where the unpaired electron influences the geometry at the radical center.
Accordingly, the structure of a trivalent radical lies between the geometries of carbocations and carbanions. An sp2-hybridized carbocation is trigonal planar, while an sp3-hybridized carbanion is trigonal pyramidal. Here, the difference in geometry is...
3.8K
Functional Groups02:45

Functional Groups

20.1K
20.1K
π Electron Effects on Chemical Shift: Aromatic and Antiaromatic Compounds01:14

π Electron Effects on Chemical Shift: Aromatic and Antiaromatic Compounds

1.1K
In aromatic compounds, such as benzene, the circulation of (4n + 2) π-electrons sets up a diamagnetic or diatropic ring current around the perimeter of the molecule. This current induces a magnetic field that opposes the external field inside the ring and reinforces it on the outside. The protons in benzene are deshielded and exhibit high chemical shifts in the range 6.5–8.5 ppm. The shielding effect at the center of the ring is evident in complex aromatic molecules, such as...
1.1K

You might also read

Related Articles

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

Sort by
Same author

Silicon Flavylium Polymethine Dyes for Shortwave Infrared Imaging.

Journal of the American Chemical Society·2026
Same author

Modeling CO<sub>2</sub> Hydrogenation to Methanol on an Ensemble of Inverse ZrO<sub>2</sub> on Cu Catalytic Sites: Mechanism, Reactivity, and Deactivation.

Angewandte Chemie (International ed. in English)·2026
Same author

Cation-Limited Hydroxide Anion Diffusion Drives Asymmetric Hydrogen Kinetics on Transition-Metal Decorated Platinum Surface.

Journal of the American Chemical Society·2026
Same author

What can Raman spectroscopy really say about the adsorbed CO on roughened Cu electrodes in CO<sub>2</sub> electroreduction conditions?

Faraday discussions·2026
Same author

A protein-based model of carbon monoxide dehydrogenase exhibits tunable covalency across cluster oxidation and ligand-bound states.

Chemical science·2026
Same author

Low-Temperature Non-Oxidative Coupling of Methane on Atomically Dispersed Titanium-Aluminum-Boron Nanopowder.

Journal of the American Chemical Society·2026
Same journal

Taming Irreversibility in sp<sup>2</sup>-Carbon-Conjugated COFs from Polycrystalline Powders to Single Crystals and Thin Films.

Accounts of chemical research·2026
Same journal

Electroactive Imidazolium Ionic Liquids in Organic Synthesis.

Accounts of chemical research·2026
Same journal

Calix[4]resorcinarene-Based Porous Organic Cages: Synthesis and Applications.

Accounts of chemical research·2026
Same journal

Light-Driven Dual Rotary Molecular Motors and Beyond.

Accounts of chemical research·2026
Same journal

Small Molecule Activators of Antitumor Immunity.

Accounts of chemical research·2026
Same journal

Confinement-Driven Anomalous Behaviors for Diffusion in Zeolites: Mechanisms and Beyond.

Accounts of chemical research·2026
See all related articles

Related Experiment Video

Updated: May 15, 2025

Quantum State Engineering of Light with Continuous-wave Optical Parametric Oscillators
09:23

Quantum State Engineering of Light with Continuous-wave Optical Parametric Oscillators

Published on: May 30, 2014

14.4K

Vibronic Engineering for Quantum Functional Groups.

Haowen Zhou1, Taras Khvorost2, Anastassia N Alexandrova2

  • 1Department of Physics and Astronomy, University of California, Los Angeles, California90095, United States.

Accounts of Chemical Research
|April 7, 2025
PubMed
Summary
This summary is machine-generated.

Chemists can now design quantum functional groups (QFGs) for molecular quantum computing. These QFGs act as quantum handles, enabling quantum state preparation and measurement (SPAM) in molecules.

More Related Videos

Probe Type II Band Alignment in One-Dimensional Van Der Waals Heterostructures Using First-Principles Calculations
13:56

Probe Type II Band Alignment in One-Dimensional Van Der Waals Heterostructures Using First-Principles Calculations

Published on: October 12, 2019

7.5K
Vibrational Spectra of a N719-Chromophore/Titania Interface from Empirical-Potential Molecular-Dynamics Simulation, Solvated by a Room Temperature Ionic Liquid
08:54

Vibrational Spectra of a N719-Chromophore/Titania Interface from Empirical-Potential Molecular-Dynamics Simulation, Solvated by a Room Temperature Ionic Liquid

Published on: January 25, 2020

5.6K

Related Experiment Videos

Last Updated: May 15, 2025

Quantum State Engineering of Light with Continuous-wave Optical Parametric Oscillators
09:23

Quantum State Engineering of Light with Continuous-wave Optical Parametric Oscillators

Published on: May 30, 2014

14.4K
Probe Type II Band Alignment in One-Dimensional Van Der Waals Heterostructures Using First-Principles Calculations
13:56

Probe Type II Band Alignment in One-Dimensional Van Der Waals Heterostructures Using First-Principles Calculations

Published on: October 12, 2019

7.5K
Vibrational Spectra of a N719-Chromophore/Titania Interface from Empirical-Potential Molecular-Dynamics Simulation, Solvated by a Room Temperature Ionic Liquid
08:54

Vibrational Spectra of a N719-Chromophore/Titania Interface from Empirical-Potential Molecular-Dynamics Simulation, Solvated by a Room Temperature Ionic Liquid

Published on: January 25, 2020

5.6K

Area of Science:

  • Molecular quantum information science
  • Quantum chemistry
  • Materials science

Background:

  • Functional groups in chemistry provide specific properties to molecules.
  • Quantum functional groups (QFGs) are proposed as molecular analogues for quantum state preparation and measurement (SPAM).
  • Molecular systems present challenges for quantum information processing due to numerous degrees of freedom leading to dephasing.

Purpose of the Study:

  • To explore chemical design principles for optimizing QFG performance.
  • To investigate molecular scaffolds that can host QFGs without compromising quantum properties.
  • To derive rules for vibronic engineering of molecules for QFG functionality.

Main Methods:

  • Design and synthesis of alkaline-earth (I) alkoxides (MOR) as QFGs, specifically the -OM (M = Ca, Sr) motif.
  • Attachment of QFGs to various aliphatic and aromatic hydrocarbon scaffolds.
  • Analysis of chemical factors (conjugation, conformer formation, electron-withdrawing abilities, symmetry) influencing optical cycling properties.
  • Exploration of physical phenomena (Fermi resonances, super radiance) relevant to QFG qubit performance.

Main Results:

  • Alkaline-earth alkoxides demonstrate potential for efficient SPAM.
  • The -OM (M = Ca, Sr) motif effectively functions as a quantum handle.
  • Chemical properties significantly impact the optical cycling behavior of QFGs.
  • Initial rules for vibronic engineering toward QFG functionality have been established.

Conclusions:

  • QFGs, particularly alkaline-earth alkoxides, offer a promising route for molecular quantum computing.
  • Judicious molecular design and vibronic engineering are crucial for overcoming decoherence in molecular qubits.
  • Further prospects exist for increasing QFG number densities through advanced molecular and material design.