IRPD spectrum of Ne-tagged naph2+ (top panel, blue) compared with calculated anharmonic and harmonic band positions of singlet naph2+ and anharmonic frequencies of triplet naph2+. Both fundamental modes (blue) and combination modes (red) are shown. The calculated spectrum was convoluted with a Gaussian lineshape function, where the width is given by the FEL bandwidth, and the area corresponds to the calculated intensity in km mol−1.
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