Spectroscopic characterization of isomerization transition states

Transition state theory is central to our understanding of chemical reaction dynamics. We demonstrate a method for extracting transition state energies and properties from a characteristic pattern found in frequency-domain spectra of isomerizing systems. This pattern—a dip in the spacings of certain barrier-proximal vibrational levels—can be understood using the concept of effective frequency, ωeff. The method is applied to the cis-trans conformational change in the S1 state of C2H2 and the bond-breaking HCN-HNC isomerization. In both cases, the barrier heights derived from spectroscopic...


Feb 23 2016 -
12:45pm to 2:00pm
Dr. Felix Castellano
Department of Chemistry, North Carolina State University
Mar 1 2016 -
12:45pm to 2:00pm
Dr. Joseph T. Hupp
Department of Chemistry, Northwestern University and Argonne National Laboratory


Congratulations to the Ryan Group for their publication in Nature Chemical Biology!

A pyridoxal phosphate-dependent enzyme that oxidizes an unactivated carbon-carbon bond

Enzymes use organic cofactors to facilitate diverse chemical transformations. One of these cofactors, pyridoxal phosphate (PLP), is...

Congratulations to Dr. Curtis Berlinguette!

Congratulations to Dr. Curtis Berlinguette! Dr. Berlinguette has been awarded the STREM Chemical Award for Pure or Applied Inorganic Chemistry for his outstanding contribution to inorganic chemistry while demonstrating exceptional promise. The...

Website development by Checkmark Media. Design by Armada