What's the meaning of the Cartesian coordinates of the atom?

In summary, the conversation discusses how to obtain the Cartesian coordinates of an atom, specifically for calculating moments of inertia using J.O. Hirshfelder's method. The use of the atom's center-of-mass location is suggested, and the possibility of using inter-atom spacings or keeping the coordinates as variables is mentioned. There is also a request for clarification on the given question and the number of atoms in a carbon or oxygen molecule.
  • #1
zsglly
5
0
How to get the Cartesian coordinates of an atom?

Dear friends,
Such a question confused me when reading!:confused:
"xi,yi and zi are the Cartesian coordinates of the ith atom"
How to get the coordinate of an atom? For example: carbon, oxygen?
I think the atom is only a dot! What's the way to indicate it with Cartesian coordinate?
Lend a hand,please!
Thank you!

zsglly
 
Last edited:
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  • #2
They're telling you the coordinate of the atom's center-of-mass
(we always describe the location of an object by its c.o.m. location!).
The C atom is at ( x_c , y_c , z_c ) ; the O atom is at ( x_o , y_o , z_o ) .
 
  • #3
lightgrav said:
They're telling you the coordinate of the atom's center-of-mass
(we always describe the location of an object by its c.o.m. location!).
The C atom is at ( x_c , y_c , z_c ) ; the O atom is at ( x_o , y_o , z_o ) .

Thank you for your help.
But I need the specific numerical value for calculating.
How to get it?
 
  • #4
Well, if they're not given in the problem, choose:
a) the text might list some inter-atom spacings in the chapter
b) you're supposed to keep them as variables (x,y,z)

What are you supposed to be calculating / computing ?
 
  • #5
Until now, I didn't find any text about inter-atom spacings
To calculate moments of inertia.
I only want to get the value of several atoms.
 
Last edited:
  • #6
Actually, I'm not sure whether I need calculate the Cartesian coordinates or not. But I hope not. Because my only intention is to get the value of carbon, oxygen and so on.
 
  • #7
zsglly said:
Until now, I didn't find any text about inter-atom spacings
To calculate moments of inertia.
Of what ? ( For instance, a carbon dioxide molecule about an axis perpendicular to the molecular axis ?) Please write down the given question completely. You have not provided enough information.
 
  • #8
are you trying to say something like:
how many atoms does a carbon or oxygen have?
 
  • #9
Gokul43201 said:
Of what ? ( For instance, a carbon dioxide molecule about an axis perpendicular to the molecular axis ?) Please write down the given question completely. You have not provided enough information.

To calulate the moment of inertia using J.O. Hirshfelder's method
Do you know?
 

Related to What's the meaning of the Cartesian coordinates of the atom?

1. What do the Cartesian coordinates of an atom represent?

The Cartesian coordinates of an atom represent its position in three-dimensional space, relative to a reference point or origin. They are typically expressed in terms of x, y, and z coordinates, with each axis representing a different direction.

2. How are the Cartesian coordinates of an atom determined?

The Cartesian coordinates of an atom are determined using a variety of methods, such as X-ray crystallography, nuclear magnetic resonance (NMR) spectroscopy, or computational modeling. These methods involve analyzing the atom's interactions with other molecules or using mathematical algorithms to calculate its position.

3. Why are Cartesian coordinates used to describe atoms?

Cartesian coordinates are used to describe atoms because they provide a precise and standardized way to represent an atom's position in three-dimensional space. This is important in fields like chemistry and biology, where understanding the spatial arrangement of atoms is crucial to understanding their properties and behaviors.

4. How do Cartesian coordinates relate to the atomic structure?

The Cartesian coordinates of an atom are closely related to its atomic structure, as they give information about the atom's position in relation to other atoms and molecules. They can also provide insight into the bonding and geometry of the atom, which are important factors in determining its chemical and physical properties.

5. Can the Cartesian coordinates of an atom change?

Yes, the Cartesian coordinates of an atom can change depending on its interactions with other molecules or external forces. For example, if an atom is part of a chemical reaction, its position may shift as it forms new bonds with other atoms. However, the changes in Cartesian coordinates are typically small and can often be predicted or calculated using scientific methods.

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