Finding Van der Waals Distances for C-C Spatial Interactions

In summary, the conversation is about determining the contribution of C~C spatial interactions to the total energy through either using a table of van der Waals distances or calculating it using Lennard-Jones potential. The advice given is to consider the bond length of the species of interest as a close approximation and to provide a fuller description of the problem for a more accurate determination.
  • #1
greisen
76
0
Hi,

I am looking for table or something that gives a tumb of rule for van der Waals distances - I have some C C spatial interactions which I would like to determine if their interaction contributes to the total energy or should I calculate it with a Lennard-Jones potential to get an estimation?

Any advise appreciated.
Best Regards
 
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  • #2
I would assume that one half of the bond length of the species of interest would be a close approximation.
 
  • #3
greisen said:
Hi,

I am looking for table or something that gives a tumb of rule for van der Waals distances - I have some C C spatial interactions which I would like to determine if their interaction contributes to the total energy or should I calculate it with a Lennard-Jones potential to get an estimation?

Any advise appreciated.
Best Regards
Can you give us a fuller description of the problem? C~C interactions have typical vdW strengths (10s of meV/atom) at separations of 30 to 50 nm.
 

1. What are Van der Waals forces?

Van der Waals forces are weak attractive forces that exist between neutral molecules or atoms due to temporary dipoles induced by the constant motion of electrons. They are also known as London dispersion forces and are responsible for the interactions between nonpolar molecules.

2. Why is it important to find Van der Waals distances for C-C spatial interactions?

Understanding the Van der Waals distances for C-C spatial interactions is important in various fields, such as materials science, drug design, and biochemistry. It helps in predicting the stability and properties of molecules, as well as in designing new molecules with specific functionalities.

3. How can Van der Waals distances for C-C spatial interactions be determined?

Van der Waals distances for C-C spatial interactions can be determined through various methods, such as X-ray crystallography, NMR spectroscopy, and computational simulations. These methods involve analyzing the spatial arrangement of atoms in a molecule and calculating the distance between C-C atoms.

4. Are Van der Waals distances for C-C spatial interactions constant for all molecules?

No, Van der Waals distances for C-C spatial interactions can vary depending on the specific molecules involved. The distances are influenced by factors such as molecular size, shape, and polarity. They can also be affected by external conditions such as temperature and pressure.

5. Can determining Van der Waals distances for C-C spatial interactions help in understanding chemical reactions?

Yes, knowing the Van der Waals distances for C-C spatial interactions can provide valuable insights into the stability and reactivity of molecules. It can help in predicting how molecules will interact with each other and how they will behave in different environments, which is crucial for understanding chemical reactions.

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