Non-Equilibrium Isomer Distribution of the Gas-Phase Photoactive Yellow Protein Chromophore

作者：Almasian Mitra; Grzetic Josipa; van Maurik Johanne; Steill Jeffrey D; Berden Giel; Ingemann Steen; Buma Wybren Jan^*; Oomens Jos

来源：Journal of Physical Chemistry Letters, 2012, 3(16): 2259-2263.

DOI：10.1021/jz300780t

The conjugate base of para-coumaric acid, which can be conveniently generated in the gas phase by electrospray ionization (ESI), is a commonly used model system for the chromophore of the photoactive yellow protein. Here we report its gas phase IR spectrum, which shows that the anion easily adopts a carboxylate structure lying 60 kJ/mol higher in energy than the global minimum phenoxide structure. Generation of the biologically more relevant phenoxide isomer by ESI can be achieved using dry acetonitrile as solvent.

• 出版日期2012-8-16