@article{6954,
  author = {M. K. Drayss and D. Blunk and J. Oomens and M. Schafer},
  title = {Infrared Multiple Photon Dissociation Spectroscopy of Potassiated Proline},
  abstract = {The structure of proline in [proline + K](+) has been investigated in the gas phase using high level DFT and MP2 calculations and infrared photo dissociation spectroscopy with a free electron laser (FELIX). The respective FELIX spectrum of [proline + K](+) matches convincingly the calculated spectra of two structurally closely related and nearly iso-energetic zwitterionic salt bridge (SB) structures. An additional unresolved band at similar to 1725 cm(-1) matching with the characteristic CO stretching mode of charge solvation (CS) structures points toward the presence of a minor population of these conformers of proline in [proline + K](+). However, theory predicts a significant energy gap of 18.9 kJmol(-1) (B3LYP/6-311++G(2d,2p)) or 15.6 kJ mol(-1) (MP2) between the lowest CS conformer of proline and the clearly favored SB structure.},
  year = {2008},
  journal = {Journal of Physical Chemistry A},
  volume = {112},
  number = {47},
  pages = {11972-11974},
  month = {Nov},
  isbn = {1089-5639},
  url = {<Go to ISI>://000261056300003 },
  note = {ISI Document Delivery No.: 374PNTimes Cited: 0Cited Reference Count: 23},
  language = {English},
}