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(a) Calculated IR spectra for the relevant structures at the ωB97XD/aug‐cc‐pVTZ(‐PP) level of theory (the full width at half maximum was chosen as 10 cm−1) along with the experimental IRMPD spectrum assuming a 4‐photon process. (b) Magnified spectrum of the measured absorption band assuming a 4‐photon process and fitted using one (left) and two (right) Gaussian functions.
