2 D ‐Infrared Spectroscopy

Abstract

The basic concepts of 2D spectroscopy are summarized from both the theoretical and the experimental points of view. The Feynman diagram formalism is introduced and applied to calculate 2D spectra. Spectroscopic Hamiltonians are used to describe intramolecular couplings such as excitonic coupling and Fermi resonances, and to predict their appearance in a 2D spectrum. Furthermore, Kubo's lineshape theory is applied to 2D spectroscopy to explain dephasing in the presence of solvent fluctuations. Finally, various experimental realizations of 2D spectroscopy are discussed with their advantages and disadvantages.