2024
Theoretical basis for interpreting heterodyne chirality-selective sum frequency generation spectra of water
Konstantinovsky D, Santiago T, Tremblay M, Simpson G, Hammes-Schiffer S, Yan E. Theoretical basis for interpreting heterodyne chirality-selective sum frequency generation spectra of water. The Journal Of Chemical Physics 2024, 160: 055102. PMID: 38341693, PMCID: PMC10846909, DOI: 10.1063/5.0181718.Peer-Reviewed Original ResearchChiral SFG spectraSFG spectraVibrational bandsHydration shellO-H stretching modesVibrational sum frequency generationLorentzian functionO–H vibrational bandsSum frequency generation spectraIntramolecular vibrational couplingO–H stretching vibration bandsStretching vibration bandHydration waterSum frequency generationO-H stretchingHydration shells of biomoleculesVibrational frequency distributionDynamics of hydration waterGeneration spectraSpectral fittingInteraction of waterStretching modeVibrational couplingInduced chiralityO-H
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
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