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Related Concept Videos

NMR Spectroscopy of Benzene Derivatives01:37

NMR Spectroscopy of Benzene Derivatives

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Simple unsubstituted benzene has six aromatic protons, all chemically equivalent. Therefore, benzene exhibits only a singlet peak at δ 7.3 ppm in the 1H NMR spectrum. The observed shift is far downfield because the aromatic ring current strongly deshields the protons. Any substitution on the benzene ring makes the aromatic protons nonequivalent, and the protons split each other. The peak is, therefore, no longer a singlet and the splitting pattern and their associated coupling...
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Mass Spectrometry: Aromatic Compound Fragmentation01:23

Mass Spectrometry: Aromatic Compound Fragmentation

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Upon ionization, aromatic compounds generate a molecular ion that is observed as a prominent peak in their mass spectra. For example, the molecular ion peak for benzene appears at a mass-to-charge ratio of 78, while toluene is observed at a mass-to-charge ratio of 92. The molecular ion benzene is highly stable and does not readily undergo further fragmentation due to the significant amount of energy required to disrupt the aromatic stability of the benzene ring. In contrast, the molecular ion...
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UV–Vis Spectroscopy: Molecular Electronic Transitions01:16

UV–Vis Spectroscopy: Molecular Electronic Transitions

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

π Electron Effects on Chemical Shift: Aromatic and Antiaromatic Compounds

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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...
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UV–Vis Spectroscopy of Conjugated Systems01:32

UV–Vis Spectroscopy of Conjugated Systems

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Organic compounds with conjugated double bonds show strong absorption features in the UV–visible region of the electromagnetic spectrum attributed to π → π* electronic excitations. Generally, a UV–vis absorption spectrum is recorded as a plot of absorbance vs wavelength. The wavelength of maximum absorbance, which manifests as a peak in the absorption spectrum, is denoted as λmax.
One of the factors influencing λmax is the extent of conjugation in...
8.9K
π Electron Effects on Chemical Shift: Overview01:27

π Electron Effects on Chemical Shift: Overview

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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,...
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Excitonic Hamiltonians for Calculating Optical Absorption Spectra and Optoelectronic Properties of Molecular Aggregates and Solids
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Electronic spectroscopy of small toluene clusters.

Adam Musgrave1, Timothy G Wright

  • 1School of Chemistry, University of Nottingham, University Park, Nottingham NG7 2RD, United Kingdom.

The Journal of Chemical Physics
|March 4, 2005
PubMed
Summary

Researchers studied toluene clusters (n=1-8) using supersonic expansion and mass-selected resonance enhanced multiphoton ionization. Toluene cluster spectra (n>2) closely resemble dimer spectra, providing insights into molecular cluster behavior.

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Spatial Separation of Molecular Conformers and Clusters
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Spatial Separation of Molecular Conformers and Clusters
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Spatial Separation of Molecular Conformers and Clusters

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Area of Science:

  • Physical Chemistry
  • Molecular Spectroscopy
  • Chemical Physics

Background:

  • Understanding molecular clusters is crucial for chemical physics.
  • Previous studies on toluene clusters provided limited spectral data.
  • Toluene clusters are relevant in various chemical and physical processes.

Purpose of the Study:

  • To characterize the electronic spectra of small toluene clusters (n=1-8).
  • To investigate the spectral evolution of toluene clusters with increasing size.
  • To compare the spectra of larger toluene clusters with that of the toluene dimer.

Main Methods:

  • Creation of small toluene clusters (n=1-8) via supersonic expansion with argon carrier gas.
  • Mass-selected resonance-enhanced multiphoton ionization (REMPI) spectroscopy.
  • Analysis of spectral features under varying temperature conditions (warm and cold).

Main Results:

  • Resonance-enhanced multiphoton ionization spectra were successfully recorded for toluene clusters (n=1-8).
  • The toluene dimer spectrum was analyzed under different temperature conditions, clarifying previous observations.
  • For clusters with n>2, the recorded spectra closely mirrored the spectrum of the toluene dimer.

Conclusions:

  • The spectral properties of small toluene clusters (n>2) are dominated by dimer-like interactions.
  • Resonance-enhanced multiphoton ionization is effective for studying the electronic structure of molecular clusters.
  • This study provides valuable spectral data for toluene clusters, aiding in understanding intermolecular forces.