KubarychGroup

 

Modeling and Simulation

We use MD and quantum chemistry to establish a molecular picture to compare with experiment

 

With enough sensitivity, it is possible to use 2DIR as a probe of transient chemical species, such as the products of a photochemical reaction. Using another metal carbonyl system as a model, we have demonstrated that electronic excitation can be coupled with Fourier transform 2DIR spectroscopy with the help of our upconversion detection method. Although such experiments require a large number of nonlinear optical processes in order to work, we routinely record transient 2DIR spectra in only a few seconds.

 

Non-Equilibrium 2DIR

Photochemistry

Optical triggers provide well-defined synchronization

Many options: isomerization, dissociation, charge transfer, solvation dynamics,...

Pulse Sequences

Changing the number and timing of optical pulses enables us to perform a wide variety of transient ultrafast techniques. Several are shown to the left.

  1. •UV-pump IR-probe: This traditional method starts a chemical change by absorption of a UV (or visible) pulse, recording the differential IR probe absorption.

  2. •Transient IR-pump IR-probe: A double difference measurement lets us see the IR-pump/IR-probe differential absorption changes when we turn on and off the photochemical reaction.

  3. •2DIR: A powerful technique for systems essentially at equilibrium.

  4. •Transient 2DIR: Uses the exceptional resolving power of 2DIR as a probe of transient chemical species.