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Phase Transitions: Melting and Freezing02:39

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Heating a crystalline solid increases the average energy of its atoms, molecules, or ions, and the solid gets hotter. At some point, the added energy becomes large enough to partially overcome the forces holding the molecules or ions of the solid in their fixed positions, and the solid begins the process of transitioning to the liquid state or melting. At this point, the temperature of the solid stops rising, despite the continual input of heat, and it remains constant until all of the solid is...
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Thermochemical Studies of Ni(II) and Zn(II) Ternary Complexes Using Ion Mobility-Mass Spectrometry
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Published on: June 8, 2022

Cold collisions of complex polyatomic molecules.

Zhiying Li1, Eric J Heller

  • 1Department of Physics, Harvard University, Cambridge, Massachusetts 02138, USA. zhiying@physics.harvard.edu

The Journal of Chemical Physics
|February 11, 2012
PubMed
Summary
This summary is machine-generated.

Classical trajectory calculations reveal that naphthalene-helium complexes do not form stable clusters in buffer-gas cooling. Increasing helium density may enhance cold molecule production, and molecular shape is key for efficient cooling.

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Spatial Separation of Molecular Conformers and Clusters
10:37

Spatial Separation of Molecular Conformers and Clusters

Published on: January 9, 2014

Area of Science:

  • Chemical Physics
  • Molecular Dynamics
  • Quantum Chemistry

Background:

  • Buffer-gas cooling is a technique used to prepare cold molecules.
  • Simulating collisions between atoms and large molecules is computationally challenging.

Purpose of the Study:

  • To develop a method for simulating atom-molecule collisions.
  • To investigate the formation of molecule-helium complexes in buffer-gas cooling experiments.
  • To understand the factors influencing the efficiency of cold molecule production.

Main Methods:

  • Classical trajectory calculations were employed.
  • Simulations focused on collisions between helium atoms and large, rigid asymmetric-top molecules, including naphthalene.
  • The study considered experimental conditions of buffer-gas cooling at 6.5 K.

Main Results:

  • The mean lifetime of naphthalene-helium collision complexes was found to be insufficient for stable cluster formation.
  • Increasing helium density in buffer-gas cooling experiments could potentially enhance cold molecule production.
  • Molecular shape significantly influences collision dynamics, especially when vibrational motion is constrained, sometimes more than the number of degrees of freedom.

Conclusions:

  • Current buffer-gas cooling conditions are not optimal for forming stable naphthalene-helium clusters.
  • Optimizing helium density and selecting molecules with appropriate shapes can improve the efficiency of producing cold molecules, even those with many degrees of freedom.