Abstract
A combination of resonant two-photon ionization (R2PI), resonant ion-dip infrared spectroscopy (RIDIRS), and infrared−ultraviolet (IR−UV) hole-burning spectroscopy is used to characterize the hydrogen-bonding topologies of indole−(water)1,2, 1-methylindole−(water)1-3, and 3-methylindole−(water)1 clusters formed and cooled in a supersonic expansion. The combination of methods provides a means of disentangling R2PI spectra that contain contributions from more than one species in the same mass channel due either to fragmentation or to the presence of conformational isomers. Density functional theory calculations (DFT Becke3LYP/6-31+G*) of the structures, harmonic vibrational frequencies, and infrared intensities provide a basis for distinguishing which structures are observed experimentally. The clusters studied exhibit a range of solvation structures around indole. In the indole−(water)1 and 3-methylindole−(water)1 complexes, the RIDIR spectra provide a benchmark frequency shift for the N−H···OH2 H-bonds in...
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