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Related Concept Videos

Hydrogen Bonds01:04

Hydrogen Bonds

A hydrogen bond is formed when a weakly positive hydrogen atom already bonded to one electronegative atom (for example, the oxygen in the water molecule) is attracted to another electronegative atom from another polar molecule, such as water (H2O), hydrogen fluoride (HF), or ammonia (NH3). The huge electronegativity difference between the H atom (2.1) and the atom to which it is bonded (4.0 for an F atom, 3.5 for an O atom, or 3.0 for an N atom), combined with the very small size of an H atom...
Hydrogen Bonds00:26

Hydrogen Bonds

Hydrogen BondsHydrogen bonds are weak attractions between atoms that have formed other chemical bonds. One of these atoms is electronegative, like oxygen, and has a partial negative charge. The other is a hydrogen atom that has bonded with another electronegative atom and has a partial positive charge.Hydrogen Bonds Control the World!Because hydrogen has very weak electronegativity when it binds with a strongly electronegative atom, such as oxygen or nitrogen, electrons in the bond are...
Van der Waals Interactions01:24

Van der Waals Interactions

Atoms and molecules interact with each other through intermolecular forces. These electrostatic forces arise from attractive or repulsive interactions between particles with permanent, partial, or temporary charges. The intermolecular forces between neutral atoms and molecules are ion–dipole, dipole–dipole, and dispersion forces, collectively known as van der Waals forces.Polar molecules have a partial positive charge on one end and a partial negative charge on the other end of the molecule,...
Intermolecular Forces03:13

Intermolecular Forces

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 bonds, and dispersion...
Intermolecular Forces03:13

Intermolecular Forces

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 bonds, and dispersion...
Noncovalent Attractions in Biomolecules02:35

Noncovalent Attractions in Biomolecules

Noncovalent attractions are associations within and between molecules that influence the shape and structural stability of complexes. These interactions differ from covalent bonding in that they do not involve sharing of electrons.
Four types of noncovalent interactions are hydrogen bonds, van der Waals forces, ionic bonds, and hydrophobic interactions.
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Multiscale Sampling of a Heterogeneous Water/Metal Catalyst Interface using Density Functional Theory and Force-Field Molecular Dynamics
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Noncovalent interactions and internal dynamics in dimethoxymethane-water.

Laura B Favero1, Barbara M Giuliano, Sonia Melandri

  • 1Istituto per lo Studio dei Materiali Nanostrutturati ISMN, Sezione di Bologna, CNR, Via Gobetti 101, 40129 Bologna, Italy.

Chemistry (Weinheim an Der Bergstrasse, Germany)
|April 25, 2007
PubMed
Summary

Researchers studied dimethoxymethane-water adducts using microwave spectroscopy. They determined internal rotation barriers and hydrogen bond distances, revealing asymmetric water interaction affecting methyl group rotation.

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Area of Science:

  • Physical Chemistry
  • Molecular Spectroscopy
  • Supramolecular Chemistry

Background:

  • Understanding non-covalent interactions is crucial for molecular recognition and self-assembly.
  • The dimethoxymethane-water adduct presents a model system for studying hydrogen bonding and internal molecular dynamics.

Purpose of the Study:

  • To investigate the structural and dynamic properties of the dimethoxymethane-water 1:1 adduct.
  • To determine the barriers to internal rotation of the methyl groups within the adduct.
  • To characterize the hydrogen bonding interactions between water and dimethoxymethane.

Main Methods:

  • Millimeter-wave absorption and Fourier transform microwave spectroscopy were employed.
  • Measurements were conducted using supersonic expansion techniques to study the complex.
  • Analysis of rotational transitions and observed splittings provided key structural and dynamic information.

Main Results:

  • Five isotopologues of the dimethoxymethane-water adduct were successfully measured.
  • Internal rotation of the two nonequivalent methyl groups resulted in quintuplet splitting of rotational transitions.
  • Barriers to internal rotation (V(3)) for the methyl groups were determined to be 6.83(8) and 6.19(8) kJ mol(-1).
  • Hydrogen bond structural parameters, including O...HO (1.93(1) Å) and C...HO (2.78(4) Å) distances, were established.

Conclusions:

  • The water molecule acts as a proton donor, forming an asymmetric hydrogen bond with dimethoxymethane.
  • This interaction influences the internal rotation of the farther methyl group via a C...HO interaction.
  • The study provides quantitative insights into the interplay between hydrogen bonding and internal molecular dynamics in weakly bound complexes.