Revealing the structure of isolated peptides: IR-IR predissociation spectroscopy of protonated triglycine isomers

Isolated gramicidin peptides probed by IR spectroscopy.

We report double-resonant IR/UV ion-dip spectroscopy of neutral gramicidin peptides in the gas phase. The IR spectra of gramicidin A and C, recorded in both the 1000 cm(-1) to 1800 cm(-1) and the 2700 to 3750 cm(-1) region, allow structural analysis. By studying this broad IR range, various local intramolecular interactions are probed, and complementary IR modes can be accessed. Ab initio quant...

Aminophenol isomers unraveled by conformer-specific far-IR action spectroscopy.

Spectroscopic studies of molecular structure can strongly benefit from extending the conventional mid-IR range to the far-IR and THz regions, as low-frequency molecular vibrations provide unique fingerprints and high sensitivity to intra- and intermolecular interactions. In this work, the gas-phase conformer specific far-IR spectra of aminophenol isomers, recorded in the spectral range of 220-8...

Rearrangement pathways of the a (4) ion of protonated YGGFL characterized by IR spectroscopy and modeling.

The structure of the a (4) ion from protonated YGGFL was studied in a quadrupole ion trap mass spectrometer by 'action' infrared spectroscopy in the 1000-2000 cm(-1) ('fingerprint') range using the CLIO Free Electron Laser. The potential energy surface (PES) of this ion was characterized by detailed molecular dynamics scans and density functional theory calculations exploring a large number of ...

Reflectance IR Spectroscopy

Infrared spectroscopy is study of the interaction of radiation with molecular vibrations which can be used for a wide range of sample types either in bulk or in microscopic amounts over a wide range of temperatures and physical states. As was discussed in the previous chapters, an infrared spectrum is commonly obtained by passing infrared radiation through a sample and determining what fraction...

FT-IR Photoacoustic Spectroscopy