Ultrafast Vibrational Frequency Shifts Induced by Electronic Excitations: Naphthols in Low Dielectric Media
Xiao D, Prémont-Schwarz M, Nibbering E, Batista V. Ultrafast Vibrational Frequency Shifts Induced by Electronic Excitations: Naphthols in Low Dielectric Media. The Journal Of Physical Chemistry A 2011, 116: 2775-2790. PMID: 22044113, DOI: 10.1021/jp208426v.Peer-Reviewed Original ResearchElectronic excitationFrequency shiftVibrational frequency shiftsMid-infrared pump-probe spectroscopyPerturbative treatmentPump-probe spectroscopyDielectric responseDensity functional theory levelB3LYP/TZVPVibrational motionSolvent-induced frequency shiftsDielectric mediumLow dielectric mediumTheoretical modelingSolvatochromic shiftsTheory levelExcitationNaphthol chromophoreNonpolar/Solvatochromic effectTime scalesTheoretical valuesPolar solventsShiftOH