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Related Concept Videos

Potential Energy00:52

Potential Energy

42.7K
The energy stored by a structure and location of matter in space is called potential energy. For instance, raising a kettlebell changes its spatial location and increases its potential energy. Similarly, a stretched rubber band contains potential energy which, under certain conditions, can be converted into other forms of energy, such as kinetic energy.
Chemical bonds that form attractive forces between atoms also contain potential energy, called chemical energy. When a chemical reaction...
42.7K
Potential Energy01:09

Potential Energy

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A conservative force, such as a gravitational or elastic force, gives the body the capacity to do work. This capacity, measured as the potential energy, depends on the body's location or “position” relative to a fixed reference position or datum. The gravitational potential energy is considered zero at the reference point. Suppose a body is located at some vertical distance above a fixed horizontal reference or datum. In that case, the weight of the body has positive gravitational potential...
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Cell Potential and Free Energy02:58

Cell Potential and Free Energy

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Thermodynamics of a Redox Reaction
Thermodynamics is the branch of physics dealing with the relationship between heat and other forms of energy. In an electrochemical cell, chemical energy is converted into electrical energy.
Thus, a link can be predicted between cell potential, free energy change, and the equilibrium constant for the reaction. Cell potential can also be measured as the oxidant or the reducing strength, and similar acid-base strength measures are reflected in equilibrium...
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Surface Tension and Surface Energy01:16

Surface Tension and Surface Energy

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When a paint brush is immersed in water, the bristles wave freely inside the water. When it is taken out, the bristles stick together. The reason behind this effect is surface tension.
Consider a beaker filled with liquid. The bulk molecules in the liquid experience equal attractive forces on all sides with the surrounding molecules. However, the surface molecules experience a net attractive force downward due to the bulk molecules. The surface of the liquid behaves like a stretched membrane,...
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Types of Potential Energy01:16

Types of Potential Energy

10.0K
Potential energy is also known as energy at rest or stored energy. Common types of potential energy include the gravitational potential energy stored in an apple hanging from a tree, the electrical potential energy stored in an object due to the attraction or repulsion of electric charges, and the chemical potential energy stored in the bonds between atoms and molecules. Additionally, the nuclear energy stored in an atomic nucleus and the elastic energy stored in a stretched spring due to its...
10.0K
Gravitational Potential Energy01:14

Gravitational Potential Energy

26.5K
Potential energy is not just a property of each object, but also a property of the interactions between objects in a chosen system. For each type of interaction present in a system, there is a corresponding type of potential energy. The total potential energy of the system is the sum of the potential energies of all the objects. Potential energy can be classified into two major categories: gravitational potential energy and elastic potential energy. The potential energy associated with a...
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Global Potential Energy Surface for HO2+ Using the CHIPR Method.

F George D Xavier1, M Martínez González1,2, A J C Varandas1,3

  • 1Department of Chemistry , University of Coimbra , 3004-525 Coimbra , Portugal.

The Journal of Physical Chemistry. A
|February 2, 2019
PubMed
Summary
This summary is machine-generated.

This study introduces a new potential energy function (PES) for molecular ions using the combined hyperbolic inverse power representation (CHIPR) method. The model accurately predicts structural properties and vibrational frequencies for O2+ and OH+ ions.

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Area of Science:

  • Computational Chemistry
  • Theoretical Chemistry
  • Spectroscopy

Background:

  • Accurate potential energy functions (PESs) are crucial for understanding molecular behavior.
  • Existing models may lack flexibility in describing complex topological features.

Purpose of the Study:

  • To develop and characterize a novel analytical potential energy function for molecular ions.
  • To apply the method to O2+ and OH+ ions and assess its descriptive capabilities.

Main Methods:

  • Utilized the combined hyperbolic inverse power representation (CHIPR) method.
  • Calculated relaxed potential energy surfaces (PESs) in various coordinates.
  • Investigated isomers and interconversions by relaxing the O2 bond distance.

Main Results:

  • The CHIPR-based model demonstrated high flexibility and subchemical accuracy.
  • Predicted structural properties align well with theoretical and experimental needs.
  • Computed IR frequencies for three vibrational modes showed encouraging agreement with recent estimates.

Conclusions:

  • The developed analytical PES is a valuable tool for molecular spectroscopy.
  • The CHIPR method offers a robust approach for modeling molecular ion potential energy surfaces.
  • The model aids in comparing theoretical predictions with experimental spectroscopic data.