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Related Concept Videos

NMR Spectroscopy of Benzene Derivatives01:37

NMR Spectroscopy of Benzene Derivatives

12.0K
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...
12.0K
Structure of Benzene: Molecular Orbital Model01:18

Structure of Benzene: Molecular Orbital Model

13.5K
According to the molecular orbital (MO) model, benzene has a planar structure with a regular hexagon of six sp2 hybridized carbons. As shown in Figure 1, each carbon is bonded to three other atoms with C–C–C and H–C–C bond angles of 120°. The C–H bond length is 109 pm, and the C–C bond length is 139 pm which is midway between the single bond length of sp3 hybridized carbons (154 pm) and sp2 hybridized carbons (133 pm).
13.5K
2D NMR: Overview of Heteronuclear Correlation Techniques01:18

2D NMR: Overview of Heteronuclear Correlation Techniques

872
Heteronuclear correlation spectroscopy is an analytical technique that investigates the coupling between different types of nuclei, often a proton and an X-nucleus, such as carbon-13 or nitrogen-15. This method is commonly used in nuclear magnetic resonance (NMR) spectroscopy to gain insights into complex chemical compounds' structural and compositional aspects. A typical heteronuclear correlation spectrum displays X-nucleus chemical shifts on one axis and a proton spectrum on the other...
872
2D NMR: Overview of Homonuclear Correlation Techniques01:16

2D NMR: Overview of Homonuclear Correlation Techniques

769
Homonuclear correlation spectroscopy (COSY) is a powerful technique used in Nuclear Magnetic Resonance (NMR) spectroscopy to study the correlations between nuclei of the same type within a molecule. It provides information about scalar couplings between adjacent nuclei, which helps determine connectivity and structural information. There are several COSY variants, each with its unique strengths and experimental parameters.
COSY90 is the standard two-dimensional (2D) COSY experiment that...
769
¹H NMR: Long-Range Coupling01:27

¹H NMR: Long-Range Coupling

2.9K
The coupling interactions of nuclei across four or more bonds are usually weak, with J values less than 1 Hz. While these are usually not observed in spectra, the presence of multiple bonds along the coupling pathway can result in observable long-range coupling.
In alkenes, spin information is communicated via σ–π overlap, as seen in allylic (four-bond) and homoallylic (five-bond) couplings. These coupling interactions are stronger when the σ bond is parallel to the alkene...
2.9K
VSEPR Theory and the Effect of Lone Pairs04:01

VSEPR Theory and the Effect of Lone Pairs

54.0K
Effect of Lone Pairs of Electrons on Molecule Geometry
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Related Experiment Video

Updated: Mar 19, 2026

Orientational Transition in a Liquid Crystal Triggered by the Thermodynamic Growth of Interfacial Wetting Sheets
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Orientational Transition in a Liquid Crystal Triggered by the Thermodynamic Growth of Interfacial Wetting Sheets

Published on: May 15, 2017

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Orientation correlation and local field in liquid nitrobenzene.

David P Shelton1

  • 1Department of Physics and Astronomy, University of Nevada, Las Vegas, Nevada 89154-4002, USA.

The Journal of Chemical Physics
|June 24, 2016
PubMed
Summary

Hyper-Rayleigh scattering reveals long-range molecular correlations in nitrobenzene liquids. This study quantines these correlations and molecular properties using advanced scattering techniques.

Area of Science:

  • Nonlinear optics
  • Molecular spectroscopy
  • Condensed matter physics

Background:

  • Hyper-Rayleigh scattering (HRS) probes molecular orientation correlations in liquids.
  • Nitrobenzene (NB) is a dipolar molecule suitable for studying these correlations.

Purpose of the Study:

  • To determine long-range molecular orientation correlations in liquid nitrobenzene.
  • To calculate key molecular parameters like dipole moment and Kirkwood correlation factor.

Main Methods:

  • Analysis of polarization, angle, and spectral dependence of HRS.
  • Integration of molecular dynamics simulations and dielectric response data.

Main Results:

  • Longitudinal and transverse orientation correlation functions were determined for r > 3 nm.

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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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Last Updated: Mar 19, 2026

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  • Molecular dipole moment (μ) was found to be 3.90 ± 0.04 D.
  • Kirkwood orientation correlation factor (gK) was 0.68 ± 0.02, and local field factor f(0) was 0.85 ± 0.04.

    • Conclusions:

    • HRS is effective for characterizing long-range molecular order in liquids.
    • The study provides precise values for NB's molecular and orientational properties.
    • Combined methods offer a comprehensive understanding of molecular interactions in liquid nitrobenzene.