Nonadiabatic Quantum Chemistry is a nice Chemical Reviews article by David Yarkony.
It is quite succinct but covers a significant number of specific chemical systems where non-adiabatic effects [including conical intersections] are important and have been treated theoretically.
Here I just mention one example for which theory has failed so far, the vibrationally mediated photodissociation of NH3 (ammonia) to NH2 + H.
Experiments find that if the excited state contains a symmetric (asymmetric) N-H stretch the dominant decay channel is to the NH2 ground state (excited state). Yarkony says that calculations [e.g. this one from Truhlar's group, which contains the figure below] have not yet captured this vibrational selectivity.
I thank Seth Olsen for bringing the article to my attention.
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