2015
Accurate Line Shapes from Sub‑1 cm–1 Resolution Sum Frequency Generation Vibrational Spectroscopy of α‑Pinene at Room Temperature
Mifflin A, Velarde L, Ho J, Psciuk B, Negre C, Ebben C, Upshur M, Lu Z, Strick B, Thomson R, Batista V, Wang H, Geiger F. Accurate Line Shapes from Sub‑1 cm–1 Resolution Sum Frequency Generation Vibrational Spectroscopy of α‑Pinene at Room Temperature. The Journal Of Physical Chemistry A 2015, 119: 1292-1302. PMID: 25647092, DOI: 10.1021/jp510700z.Peer-Reviewed Original ResearchConceptsVibrational spectroscopySum frequency generation vibrational spectroscopyGeneration vibrational spectroscopySum frequency generation spectraMolecular dynamics calculationsΑ-pineneVibrational energy relaxationSFG spectroscopyRoom temperaturePhase-resolved spectraAccurate line shapesVibrational spectraFourier transformMolecular surfaceHigh spectral resolutionSpectroscopyRaman spectraDynamics calculationsSame moleculeCommon terpenesNew spectroscopyVibrational coherenceEnergy relaxationGeneration spectraSpectral lines
2013
Chiral Sum Frequency Generation for In Situ Probing Proton Exchange in Antiparallel β‑Sheets at Interfaces
Fu L, Xiao D, Wang Z, Batista VS, Yan EC. Chiral Sum Frequency Generation for In Situ Probing Proton Exchange in Antiparallel β‑Sheets at Interfaces. Journal Of The American Chemical Society 2013, 135: 3592-3598. PMID: 23394622, PMCID: PMC9208335, DOI: 10.1021/ja3119527.Peer-Reviewed Original ResearchConceptsD exchangeChiral sum frequency generation (SFG) spectroscopySum frequency generation spectroscopyHydrogen/deuterium exchangeSurface-selective methodFrequency generation spectroscopyVibrational modesAir/water interfaceAb initio simulationsWater OD stretch bandsH bondsPeptide backboneGeneration spectroscopyN stretchBulk solutionProton exchangeD stretchWater interfaceAntiparallel β-sheetDeuterium exchangeStretch bandFourier transformMass spectroscopyInitio simulations