CCL: About phosphorus-carbon double bond vibrational-frequency(ies)
- From: zborowsk <zborowsk..chemia.uj.edu.pl>
- Subject: CCL: About phosphorus-carbon double bond
vibrational-frequency(ies)
- Date: Mon, 09 May 2016 16:58:19 +0200
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