Dr. Igor Rubtsov, Dept. of Chemistry, Tulane University

Weak Mode Interactions as Structural Reporters via 2D IR Spectroscopy

Abstract:

We showed that it is advantageous to use interactions of weak IR modes as structural reporters via dual-frequency 2D IR, since they can deliver atom-sensitive structural constraints. The direct mode coupling, however, could be very small and difficult to measure, if the modes are spatially separated and/or the mode-frequency gap is large. Vibrational relaxation from the initially excited mode can provide cross-peaks that are over on order of magnitude stronger than the direct-coupling cross-peaks. Advantages of using relaxation induced peaks for structural constraints are discussed. It remains to be seen if larger mode separation distances will be accessible using the relaxation-induced cross-peaks.

For more information contact Dr. Laren Tolbert or Dr. Kyril Solntsev.