Dipole and electric field gradient

In summary, the conversation discusses the development of a classical model of a dipolar ion in an external electric field. The model consists of two charges located at a fixed distance from each other and the potential energy is given by a combination of terms involving the electric potential, position of the center of mass, and positions of the charges with respect to the center of mass. The first term is identified as the total charge times the electric potential and the second term represents the interaction of the dipole with the electric field. The third term is a correction term that arises when assuming the dipole is not point-like.
  • #1
DrClaude
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I'm developing a classical model of a dipolar ion in an external electric field. It consists of two charges ##\delta_+## and ##\delta_-##, located at a fixed distance from each other. For the special case I'm considering, I end up with the potential energy
$$
(\delta_+ + \delta_-) \Phi(\vec{R}) + \sum_{\xi = x,y,z} \left[
\delta_+ (\vec{r}_+')_{\xi} + \delta_- (\vec{r}_-')_{\xi} \right]
\left. \frac{\partial}{\partial \xi} \Phi \right|_{\vec{R}} + \sum_{\xi = x,y,z} \left[
\delta_+ (\vec{r}_+')_{\xi}^2 + \delta_- (\vec{r}_-')_{\xi}^2 \right]
\left. \frac{\partial^2}{\partial \xi^2} \Phi \right|_{\vec{R}}
$$
where ##\Phi## is the electric potential, ##\vec{R}## is the position of the center of mass and ##\vec{r}_\pm'## the positions of the charges ##\delta_\pm## with respect to the center of mass. The notation ##(\vec{r})_\xi## means the ##\xi \in \{x,y,z\}## component of ##\vec{r}##.

The first term I can identify as the total charge times the electric potential and the second I can rewrite as
$$
\vec{\mu} \cdot \left. \vec{\nabla}\Phi \right|_{\vec{R}} = \vec{\mu} \cdot \vec{E}(\vec{R})
$$
i.e., the interaction of the dipole with the electric field. But I'm struggling to find a physical interpretation to the third term. I've tried to rewrite it in other terms, but didn't come up with anything interesting. Is this simply because the center of mass is not exactly midway between the two charges?

Any input appreciated.
 
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  • #2
Well, the formula [tex]U=\mathbf{\mu}\cdot\nabla \Phi[/tex] is only appropriate for a point-like dipole, so it just seems like your third term is a correction term that arises when you avoid assuming that the dipole is point-like.
 
  • #3
dEdt said:
so it just seems like your third term is a correction term that arises when you avoid assuming that the dipole is point-like.
I had thought about that possibility also, but forgot to write it in my post. Thanks for your reply.
 

1. What is a dipole?

A dipole is a molecule or object that has a separation of positive and negative charges. This separation creates a dipole moment, which is a measure of the strength of the dipole. A dipole can be induced by an external electric field or can be naturally occurring due to the arrangement of charges within the molecule or object.

2. What is an electric field gradient?

An electric field gradient is a measure of how rapidly the strength of an electric field changes as you move through space. It is typically measured in volts per meter (V/m) and is used to describe the strength of an electric field at a specific point in space.

3. How are dipole and electric field gradient related?

Dipole and electric field gradient are related because the strength of an electric field gradient is directly proportional to the strength of a dipole moment. This means that the stronger the dipole moment of a molecule or object, the stronger the electric field gradient will be in its vicinity.

4. How is the electric field gradient calculated?

The electric field gradient can be calculated using the formula E = -ΔV/Δx, where E is the electric field gradient in V/m, ΔV is the change in electric potential in volts (V), and Δx is the change in distance in meters (m). This formula is based on the definition of electric field gradient as the change in electric field strength over a given distance.

5. What is the significance of dipole and electric field gradient in chemistry?

Dipole and electric field gradient are important concepts in chemistry because they play a crucial role in determining the physical and chemical properties of molecules and compounds. They are used to explain phenomena such as polarity, intermolecular interactions, and molecular reactivity. Understanding these concepts is essential for understanding the behavior of matter at the molecular level.

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