I am thinking more about photophysical properties of ketocyanine dyes. I have puzzled through the basics of the molecular orbitals. Some material on this site is useful, including a visualisation of the molecular orbitals of formaldehyde. A key point is that the HOMO is a non-bonding orbital centred on the O atom and lying perpendicual to the C=O bond.
Thinking in the alternative resonating valence bond picture there will be three alternative Lewis structures
O
||
C -R
|
L
O-
|
C -R
|
L+
O-
|
C -R+
|
L
The extent to which the lower two structures contribute will increase the C-O bond length and reduce the C-O stretch frequency.
It should be possible to describe the low lying excited states in terms of a complete active space with 4 electrons in 3 orbitals (a pi* orbital on the C=O bridge, and a pi orbital on the left and right fragments).
Subscribe to:
Post Comments (Atom)
From Leo Szilard to the Tasmanian wilderness
Richard Flanagan is an esteemed Australian writer. My son recently gave our family a copy of Flanagan's recent book, Question 7 . It is...
-
Is it something to do with breakdown of the Born-Oppenheimer approximation? In molecular spectroscopy you occasionally hear this term thro...
-
If you look on the arXiv and in Nature journals there is a continuing stream of people claiming to observe superconductivity in some new mat...
-
I welcome discussion on this point. I don't think it is as sensitive or as important a topic as the author order on papers. With rega...
No comments:
Post a Comment