Hydrogen transfer in photoexcited phenol/ammonia clusters by UV-IR-UV ion dip spectroscopy and ab initio molecular orbital calculations.: I.: Electronic transitions

The electronic spectra of reaction products via photoexcited phenol/ammonia clusters (1:2-5) have been measured by UV-near-IR-UV ion dip spectroscopy. Compared with the electronic spectra of hydrogenated ammonia cluster radicals the reaction products have been proven to be (NH3)(n-1)NH4 (n=2-5), which are generated by excited-state hydrogen transfer in PhOH-(NH3)(n). By comparing the experimental results with ab initio molecular orbital calculations at multireference single and double excitation configuration interaction level, it has been found that the reaction products (NH3)(n-1)NH4 (for n=3 and 4), contain some isomers. (C) 2002 American Institute of Physics.