How Is Bond Length Calculated?

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Bond length calculation involves theoretical and experimental methods. Theoretical calculations require solving the molecular Schrödinger equation, deriving forces by calculating derivatives with respect to nuclear coordinates, and minimizing these forces using methods like steepest-descent until equilibrium bond distances are achieved. Experimentally, bond lengths are determined through spectroscopic techniques, with X-ray crystallography being a prominent method for obtaining precise measurements.
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Can anyone explain to me how you calculate bond length?

Thanks!
 
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I don't know what you had in mind, but the only way to do it theoretically is roughly:
1) Solve the molecular Schrödinger equation.
2) Calculate the derivatives with respect to nuclear coordinates to get the forces
3) Minimize using the steepest-descent or other minimization method
4) Repeat until the nuclei are at equilibrium bond distance.
 
Assuming you meant how bond length data is obtained experimentally, it is done by spectroscopic methods.

One of probably many such techniques...
http://en.wikipedia.org/wiki/X-ray_crystallography
 

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