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Hydrogen Bonds01:04

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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...
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VSEPR Theory and the Effect of Lone Pairs04:01

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Amines with low molecular weight are usually gaseous at room temperature, while those with high molecular weight are liquid or solids in nature. Usually, low molecular weight amines have a rotten fish-like smell. Diamines typically have a pungent smell. For instance, cadaverine and putrescine, depicted in Figure 1, are two molecules responsible for decaying tissue.
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Basicity of Aliphatic Amines01:21

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Amines can behave as Brønsted–Lowry bases by accepting a proton from the acid to form corresponding conjugate acids. Due to a lone pair of nonbonding electrons, aliphatic amines can also act as Lewis bases by forming a covalent bond with an electrophile.
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Titration of a Weak Base with a Strong Acid01:20

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The titration curve of a weak base like ammonia with a strong acid like hydrochloric acid is the mirror image of the titration curve of a weak acid with a strong base.
Using the ICE table and substituting the Kb value, we calculate the initial pH of 50 mL of 0.1 M ammonia to be 11.11. Addition of 25 mL of 0.1 M hydrochloric acid to this solution of ammonia results in a buffer with an equal concentration of ammonia and ammonium ions. The pH of this buffer can be calculated by substituting these...
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The mathematical expression known as the wave function, ψ, contains information about each orbital and the wavelike properties of electrons in an isolated atom. When atoms are bound together in a molecule, the wave functions combine to produce new mathematical descriptions that have different shapes. This process of combining the wave functions for atomic orbitals is called hybridization and is mathematically accomplished by the linear combination of atomic orbitals. The new orbitals that...
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Updated: Sep 3, 2025

Preparation of Hydrophobic Metal-Organic Frameworks via Plasma Enhanced Chemical Vapor Deposition of Perfluoroalkanes for the Removal of Ammonia
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Hydrogen Bonding in Liquid Ammonia.

Aravind Krishnamoorthy1, Ken-Ichi Nomura1, Nitish Baradwaj1

  • 1Collaboratory for Advanced Computing and Simulations, Department of Chemical Engineering and Materials Science, Department of Physics & Astronomy, and Department of Computer Science, University of Southern California, Los Angeles, California 90089, United States.

The Journal of Physical Chemistry Letters
|July 28, 2022
PubMed
Summary
This summary is machine-generated.

Quantum molecular dynamics simulations reveal that liquid ammonia has limited hydrogen bonding, with each nitrogen atom forming only one bond. Crystalline ammonia-I exhibits virtually no hydrogen bonding, differing significantly from water ice.

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Area of Science:

  • Physical Chemistry
  • Computational Chemistry
  • Materials Science

Background:

  • Hydrogen bonding in condensed phases is crucial for material properties.
  • Ammonia's hydrogen bonding characteristics are less understood compared to water.
  • Investigating ammonia's condensed phases provides insights into molecular interactions.

Purpose of the Study:

  • To investigate the structure and dynamics of hydrogen bonds in liquid and crystalline ammonia.
  • To compare hydrogen bonding in ammonia with that in water.
  • To elucidate the nature of hydrogen bonding in ammonia-I.

Main Methods:

  • Quantum molecular dynamics (QMD) simulations were employed.
  • Simulations focused on two phases: liquid ammonia and crystalline ammonia-I.
  • Analysis included hydrogen bond structure and lifetimes.

Main Results:

  • Liquid ammonia exhibits limited hydrogen bonding, with each nitrogen atom forming one hydrogen bond at 2.24 Å.
  • The computed hydrogen bond lifetime in liquid ammonia is approximately 0.1 ps.
  • Hydrogen bonding is practically nonexistent in crystalline ammonia-I.

Conclusions:

  • Ammonia's hydrogen bonding network differs significantly from that of water.
  • Crystalline ammonia-I possesses a distinct lack of hydrogen bonding.
  • QMD simulations provide valuable insights into ammonia's condensed phase behavior.