Publications by authors named "Sarah L Tesar"
Article Synopsis
- The study aimed to understand how energy and vibrational relaxation occur in polyatomic molecules due to anharmonicity.
- A generalized version of Marcus electron transfer theory was used to model the energy transport dynamics, along with improvements to existing theoretical frameworks.
- The approach was successfully applied to several molecules, showing that the theoretical results aligned well with experimental findings from relaxation-assisted two-dimensional infrared spectroscopy.
Vibrational energy relaxation and transport in a molecule that is far from thermal equilibrium can affect its chemical reactivity. Understanding the energy transport dynamics in such molecules is also important for measuring molecular structural constraints via relaxation-assisted two-dimensional infrared (RA 2DIR) spectroscopy. In this paper we investigated vibrational relaxation and energy transport in the ortho, meta, and para isomers of acetylbenzonitrile (AcPhCN) originated from excitation of the CN stretching mode.
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