Negative ion photoelectron spectroscopy of OH À „ NH 3 ...
نویسندگان
چکیده
The 351 nm photoelectron spectra of OH~NH3!n n51,2 and the deuterated analogs exhibit two broad peaks. Ab initio calculations of the anion and neutral potential-energy surfaces have been carried out using an MP2 ~second-order Mo”ller–Plesset!/6-3111G** basis set. The geometries, frequencies, and energetics from these calculations aid in the interpretation of the experimental results. An estimate of the OH~NH3! electron affinity is 2.3560.07 eV based on experimental and theoretical results. Calculations of the anion vibrational wave functions indicate that following electron photodetachment, the neutral potential-energy surface is accessed from the reactant entrance channel through the transition state region. © 2000 American Institute of Physics. @S0021-9606~00!00711-X#
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