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Related Concept Videos

π Molecular Orbitals of the Allyl Cation and Anion01:18

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An allyl group is a three-carbon conjugated system where the sp³-hybridized allylic carbon is bonded to a CH=CH2 group via a single bond. Allyl anions can be obtained by treating propene with a strong base that can deprotonate methyl groups. Allyl cations are formed as intermediates during substitution reactions involving allylic halides. In both cases, the hybridization of the allylic carbon changes from sp3 to sp2, giving rise to a carbon chain with three sp2-hybridized carbons, each with an...
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Allyl radicals are three-carbon conjugated systems. They are readily formed as intermediates in halogenation reactions of alkenes involving the addition of halogen to the allylic carbon instead of the double bond. As seen in allyl cations and anions, each of the three sp2-hybridized carbon atoms in allyl radicals has an unhybridized p orbital. These orbitals combine to give three π molecular orbitals.
The allyl systems have identical molecular orbitals but differ in the number of π electrons.
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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...

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Measurement of Ultrafast Vibrational Coherences in Polyatomic Radical Cations with Strong-Field Adiabatic Ionization
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Published on: August 6, 2018

Orbital alignment in photodissociation probed using strong field ionization.

Yun Fei Lin1, Lu Yan, Suk Kyoung Lee

  • 1Department of Chemistry, Wayne State University, Detroit, Michigan 48202, USA.

The Journal of Chemical Physics
|December 24, 2011
PubMed
Summary

We measured orbital polarization in chemical reactions for the first time using strong field ionization. This technique offers sensitive insights into molecular photodissociation dynamics and reaction pathways.

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Area of Science:

  • Chemical Physics
  • Molecular Dynamics
  • Quantum Chemistry

Background:

  • Photodissociation of molecules generates atomic fragments with polarized electronic angular momentum.
  • Atomic alignment provides insights into chemical reaction dynamics that are otherwise inaccessible.
  • Measuring orbital polarization is crucial for understanding molecular behavior.

Purpose of the Study:

  • To demonstrate a novel method for measuring orbital polarization in chemical reactions.
  • To achieve high sensitivity in detecting orbital polarization using strong field ionization.
  • To explore the utility of extreme nonlinearity in strong field ionization for probing molecular dynamics.

Main Methods:

  • Utilizing strong field ionization (SFI) as the primary detection technique.
  • Exploiting the extreme nonlinearity of SFI to enhance sensitivity.
  • Analyzing the resulting atomic fragments to infer orbital polarization.

Main Results:

  • Successfully measured orbital polarization in chemical reactions for the first time.
  • Demonstrated the high sensitivity of SFI for detecting orbital polarization.
  • Established a new method for probing molecular photodissociation dynamics.

Conclusions:

  • Orbital polarization can be measured with high sensitivity using strong field ionization.
  • This technique provides valuable information on the dynamical pathways of chemical reactions.
  • Strong field ionization offers a powerful tool for studying molecular alignment and polarization.