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Molecular Shapes01:18

Molecular Shapes

Molecules have characteristic shapes that are crucial for their function. The arrangement of various electron groups around the central atom dictates their molecular geometry. Electron pairs in the valence shell of a central atom will adopt an arrangement that minimizes repulsions between the electron pairs by maximizing the distance between them. The valence electrons form either bonding pairs, located primarily between bonded atoms, or lone pairs.
Two regions of electron density in a diatomic...
Molecular Orbital Theory I02:35

Molecular Orbital Theory I

Overview of Molecular Orbital Theory
Molecular Spectroscopy: Absorption and Emission01:14

Molecular Spectroscopy: Absorption and Emission

Molecules possess discrete energy levels called quantum states. Unlike atoms, which have simpler energy levels, molecules possess additional rotational and vibrational energy levels. Each energy level is separated by an energy gap, with the gaps between adjacent electronic, vibrational, and rotational levels varying significantly. The three types of energy levels in a diatomic molecule are shown in Figure 1.
Molecular Geometry and Dipole Moments02:36

Molecular Geometry and Dipole Moments

The VSEPR theory can be used to determine the electron pair geometries and molecular structures as follows:
Band Theory02:35

Band Theory

When two or more atoms come together to form a molecule, their atomic orbitals combine and molecular orbitals of distinct energies result. In a solid, there are a large number of atoms, and therefore a large number of atomic orbitals that may be combined into molecular orbitals. These groups of molecular orbitals are so closely placed together to form continuous regions of energies, known as the bands.
The energy difference between these bands is known as the band gap.
Conductor, Semiconductor,...
Molecular Models02:00

Molecular Models

Physical models representing molecular architectures of chemical compounds play essential roles in understanding chemistry. The use of molecular models makes it easier to visualize the structures and shapes of atoms and molecules.

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Updated: May 19, 2026

Excitonic Hamiltonians for Calculating Optical Absorption Spectra and Optoelectronic Properties of Molecular Aggregates and Solids
08:04

Excitonic Hamiltonians for Calculating Optical Absorption Spectra and Optoelectronic Properties of Molecular Aggregates and Solids

Published on: May 27, 2020

Can we understand the molecule in molecular electronics?

Steven L Bernasek1

  • 1Department of Chemistry, Princeton University, Princeton, NJ 08544, USA. sberna@princeton.edu

Angewandte Chemie (International Ed. in English)
|August 16, 2012
PubMed
Summary

Molecular electronic devices offer miniaturization, but their conductivity and rectification are unaffected by organic functional groups. This challenges the tunability of these molecular junctions for electronic applications.

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Last Updated: May 19, 2026

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Area of Science:

  • Molecular electronics
  • Organic synthesis
  • Materials science

Background:

  • Molecular electronic devices offer potential for ultimate miniaturization.
  • Organic synthesis provides flexibility in tuning molecular components.

Purpose of the Study:

  • To investigate the impact of organic functionality on the electronic properties of molecular junctions.
  • To assess the tunability of molecular electronic devices.

Main Methods:

  • Fabrication and characterization of metal/molecule/metal junctions.
  • Analysis of conductivity and rectification behavior.

Main Results:

  • Organic functionality had minimal effect on the conductivity of molecular junctions.
  • Rectification behavior was largely independent of molecular modifications.

Conclusions:

  • The tunability of molecular electronic devices through organic functionalization is questionable.
  • Current approaches may not effectively control electronic properties at the molecular level.