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Intermolecular Forces03:13

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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Crystalline solids are divided into four types: molecular, ionic, metallic, and covalent network based on the type of constituent units and their interparticle interactions.
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Water and other polar molecules are attracted to ions. The electrostatic attraction between an ion and a molecule with a dipole is called an ion-dipole attraction. These attractions play an important role in the dissolution of ionic compounds in water.
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The formation of a solution is an example of a spontaneous process, a process that occurs under specified conditions without energy from some external source.
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Intermolecular forces (IMF) are electrostatic attractions arising from charge-charge interactions between molecules. The strength of the intermolecular force is influenced by the distance of separation between molecules. The forces significantly affect the interactions in solids and liquids, where the molecules are close together. In gases, IMFs become important only under high-pressure conditions (due to the proximity of gas molecules). Intermolecular forces dictate the physical properties of...
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Universal insertion of molecules in ionic compounds under pressure.

Feng Peng1,2, Yanming Ma3,4, Chris J Pickard5,6

  • 1College of Physics and Electronic Information, Luoyang Normal University, Luoyang 471022, China.

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|February 12, 2024
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Summary

Covalently bonded molecules can form stable compounds with NaCl under pressure, even retaining their structure. Nitrogen molecules uniquely transform into high-energy pentazolate anions, offering new synthesis routes.

Keywords:
crystal structure predictiondensity functional theoryhigh-pressuremolecule-solid hybrid materialsplanet interior

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Area of Science:

  • Materials Science
  • Computational Chemistry
  • Planetary Science

Background:

  • Ionic solids like NaCl interact with molecular compounds under extreme conditions.
  • Understanding these interactions is key to novel material synthesis and planetary interior modeling.

Purpose of the Study:

  • To investigate the reaction and compound formation between various covalently bonded molecules and NaCl under pressure.
  • To explore the potential for synthesizing new materials, such as pentazolates, and understand planetary interiors.

Main Methods:

  • First-principles calculations were employed to study molecular-ionic interactions.
  • Crystal structure search methods were utilized to identify stable compound formations.

Main Results:

  • Many molecules (H2, N2, CO2, NH3, H2O, CH4) form stable compounds with NaCl under pressure, retaining their molecular integrity.
  • Nitrogen (N2) uniquely transforms into cyclo-N5- anions, a novel pathway for pentazolate synthesis.
  • The study reveals a universal hybridization propensity between molecules and ionic solids under pressure.

Conclusions:

  • Covalently bonded molecules exhibit surprising miscibility with ionic solids like NaCl under pressure.
  • This finding opens new avenues for synthesizing high-energy-density materials and provides insights into the composition of planetary interiors.