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Related Concept Videos

Molecular Orbital Theory I02:35

Molecular Orbital Theory I

Overview of Molecular Orbital Theory
MO Theory and Covalent Bonding02:40

MO Theory and Covalent Bonding

The molecular orbital theory describes the distribution of electrons in molecules in a manner similar to the distribution of electrons in atomic orbitals. The region of space in which a valence electron in a molecule is likely to be found is called a molecular orbital. Mathematically, the linear combination of atomic orbitals (LCAO) generates molecular orbitals. Combinations of in-phase atomic orbital wave functions result in regions with a high probability of electron density, while...
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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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sp3d and sp3d 2 Hybridization
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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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Related Experiment Video

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Hand Controlled Manipulation of Single Molecules via a Scanning Probe Microscope with a 3D Virtual Reality Interface
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Published on: October 2, 2016

Manipulating localized molecular orbitals by single-atom contacts.

Weihua Wang1, Xingqiang Shi, Chensheng Lin

  • 1Department of Physics, The Hong Kong University of Science and Technology, Hong Kong, China.

Physical Review Letters
|September 28, 2010
PubMed
Summary
This summary is machine-generated.

Single copper atoms attached to molecules create localized electronic changes. This atom-molecule contact affects only the contacted molecular orbital, not others, enabling orbital manipulation.

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Area of Science:

  • Surface Science
  • Molecular Electronics
  • Quantum Chemistry

Background:

  • Atom-molecule contacts are crucial for molecular electronics.
  • Understanding localized electronic effects is key to controlling molecular properties.

Purpose of the Study:

  • To investigate the electronic impact of single atom-molecule contacts.
  • To explore the localization of molecular orbitals under atomic interaction.

Main Methods:

  • Fabrication of single copper atom contacts on bis-terpyridine molecules on a Cu(111) surface.
  • Utilizing scanning tunneling microscopy and spectroscopy.
  • Performing density functional calculations.

Main Results:

  • Copper atom attachment localized electronic modifications to the contacted terpyridine side group.
  • Electronic states in other molecular parts remained unaffected by the atom-molecule contact.
  • Demonstrated orbital-specific contact effects.

Conclusions:

  • Atom-molecule contacts exhibit localized electronic effects on molecular orbitals.
  • This precise control over orbital states opens avenues for manipulating molecular orbital alignments.