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Related Concept Videos

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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Inductive Effects on Chemical Shift: Overview01:27

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The protons in unsubstituted alkanes are strongly shielded with chemical shifts below 1.8 ppm. Methine, methylene, and methyl protons appear at approximately 1.7, 1.2 and 0.7 ppm, while the proton signal from methane appears at 0.23 ppm. An electronegative substituent, such as chlorine, withdraws the electron density from the protons, increasing their chemical shift. Progressive substitution of the hydrogens in methane by chlorine shifts the proton signals increasingly downfield, to 3.05 ppm in...
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Induced Electric Dipoles01:28

Induced Electric Dipoles

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A permanent electric dipole orients itself along an external electric field. This rotation can be quantified by defining the potential energy because the external torque does work in rotating it. Then, the potential energy is minimum at the parallel configuration and maximum at the antiparallel configuration. While the former is a stable equilibrium, the latter is an unstable equilibrium.
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Intermolecular Forces

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Atoms and molecules interact through bonds (or forces): intramolecular and intermolecular. The forces are electrostatic as they arise from interactions (attractive or repulsive) between charged species (permanent, partial, or temporary charges) and exist with varying strengths between ions, polar, nonpolar, and neutral molecules. The different types of intermolecular forces are ion–dipole, dipole–dipole, hydrogen bonds, and dispersion; among these, dipole–dipole, hydrogen...
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In bromoethane, the three methyl protons are coupled to the two methylene protons that are three bonds away. In accordance with the n+1 rule, the signal from the methyl protons is split into three peaks with 1:2:1 relative intensities. The methylene protons appear as a quartet, with the relative intensities of 1:3:3:1.
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Related Experiment Video

Updated: Dec 22, 2025

Spatial Separation of Molecular Conformers and Clusters
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Internal electric fields in methanol [MeOH]2-6 clusters.

Manjusha Boda1, G Naresh Patwari

  • 1Department of Chemistry, Indian Institute of Technology Bombay, Powai, Mumbai 400076, India. naresh@chem.iitb.ac.in.

Physical Chemistry Chemical Physics : PCCP
|May 7, 2020
PubMed
Summary

Methanol

Area of Science:

  • Physical Chemistry
  • Computational Chemistry
  • Spectroscopy

Background:

  • Water and methanol are key hydrogen-bonded solvents.
  • Methanol's methyl group introduces unique C-HO hydrogen bonding alongside O-HO bonds.
  • Understanding these differences impacts solvent behavior studies.

Purpose of the Study:

  • To investigate the influence of C-HO hydrogen bonds in methanol clusters.
  • To analyze the electric field effects on methanol's hydrogen bonding.
  • To compare the vibrational sensitivity of methanol's OH group versus water's.

Main Methods:

  • Computational evaluation of electric fields in methanol clusters.
  • Observation and analysis of linear Stark effect on OH groups.
  • Correlation of Stark tuning rates with hydrogen bonding environments (e.g., DAA motif).

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Computation of Atmospheric Concentrations of Molecular Clusters from ab initio Thermochemistry
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Probing the Structure and Dynamics of Interfacial Water with Scanning Tunneling Microscopy and Spectroscopy
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Last Updated: Dec 22, 2025

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Computation of Atmospheric Concentrations of Molecular Clusters from ab initio Thermochemistry
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Probing the Structure and Dynamics of Interfacial Water with Scanning Tunneling Microscopy and Spectroscopy
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Main Results:

  • C-HO hydrogen bonds significantly impact methanol cluster structure and energetics (~20%).
  • A consistent linear Stark effect was observed for hydrogen-bonded OH groups in methanol.
  • Stark tuning rates vary with the hydrogen bonding environment, with DAA motifs showing higher rates.

Conclusions:

  • Methanol's C-HO bonds play a crucial role in its cluster dynamics.
  • The OH group in methanol serves as a more sensitive vibrational probe than in water.
  • This research offers insights into solvent-specific hydrogen bonding interactions.