Computational and photoelectron spectroscopic study of the dipole-bound anions, indole(H₂O)₁,₂⁻

• Main Authors: Buytendyk, A M, Buonaugurio, A M, Xu, S-J, Nilles, J M, Bowen, K H, Kirnosov, N, Adamowicz, L
• Other Authors: Univ Arizona, Dept Phys
• Language: en
• Published: AMER INST PHYSICS 2016
• Online Access: http://hdl.handle.net/10150/621318; http://arizona.openrepository.com/arizona/handle/10150/621318

We report our joint computational and anion photoelectron spectroscopic study of indole-water cluster anions, indole(H2O)1,2 (-). The photoelectron spectra of both cluster anions show the characteristics of dipole-bound anions, and this is confirmed by our theoretical computations. The experimentally determined vertical electron detachment (VDE) energies for indole(H2O)1 (-) and indole(H2O)2 (-) are 144 meV and 251 meV, respectively. The corresponding theoretically determined VDE values for indole(H2O)1 (-) and indole(H2O)2 (-) are 124 meV and 255 meV, respectively. The vibrational features in the photoelectron spectra of these cluster anions are assigned as the vibrations of the water molecule.