CCL: About phosphorus-carbon double bond vibrational-frequency(ies)



 Sent to CCL by: zborowsk [zborowsk:+:chemia.uj.edu.pl]
 Daniel,
 
  If
 you're lucky, there won't be too many vibrational nodes with
 frequencies in your range, and you can pick out the C=P stretch from
 watching the animation.
 
 
it looks you are not lucky, because you said you cannot find the C+P stretching band by vibrational modes animation.
 
 If you are unlucky, there will be several other vibrational nodes
 
with similar frequencies, and every one of those modes will be a mixed
 mode that has only some C=P stretching character.
 
 
This is probably your case. The C=P stretching is probably coupled with other internal coordinates and should be detected in several modes. You have to perform the Potential Energy Distribution analysis in order to detect in which vibrational bands the C=P is involved.
 regards