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• W2047769097 abstract "The absolute Raman excitation profiles (REPs) of the fundamental and first two overtones of I2 dissolved in n-hexane were determined with excitation frequencies from 15 000 to 22 000 cm−1. Calculations for both the absorption spectrum and the REPs were performed and the results compared to the experimental results. Good agreement was found using gas phase potentials for the A, B, and B″ states and a ground state potential modified to reproduce the observed anharmonicity of the I2 vibrations in n-hexane. The homogeneous linewidth in the excited electronic states is Γ=15–20 cm−1 (HWHM), which corresponds to a T2 of ≊0.3 ps. The spectra have an inhomogeneous component of 400 cm−1 (HWHM). Separate calculations demonstrate the effects of the excited electronic states individually and demonstrate the importance of the interference terms in the REP. Calculations also demonstrate the sensitivity of the depolarization ratio to the contributions of the various excited electronic states. The index of refraction corrections required in solution are close to those expected." @default.
• W2047769097 created "2016-06-24" @default.
• W2047769097 creator A5040783044 @default.
• W2047769097 creator A5057019433 @default.
• W2047769097 date "1986-10-01" @default.
• W2047769097 modified "2023-09-27" @default.
• W2047769097 title "Comparison of experiment and theory for the resonance Raman spectrum of I₂ in solution. I. The Raman excitation profile of I₂ in <i>n</i>‐hexane" @default.
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• W2047769097 doi "https://doi.org/10.1063/1.450900" @default.
• W2047769097 hasPublicationYear "1986" @default.
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