@article{7531, author = {M. Almasian and J. Grzetic and J. van Maurik and J. D. Steill and G. Berden and S. Ingemann and W. J. Buma and J. Oomens}, title = {Non-Equilibrium Isomer Distribution of the Gas-Phase Photoactive Yellow Protein Chromophore}, abstract = {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.}, year = {2012}, journal = {Journal of Physical Chemistry Letters}, volume = {3}, number = {16}, pages = {2259-2263}, month = {Aug}, isbn = {1948-7185}, url = {http://pubs.acs.org/doi/abs/10.1021/jz300780t}, doi = {10.1021/jz300780t}, note = {ISI Document Delivery No.: 991JMTimes Cited: 0Cited Reference Count: 34}, language = {English}, }