THEORETICAL STUDY ON THE PHOTODETACHMENT OF I2- AND DISSOCIATIVE ATTACHMENT TO I2


Yukako Asano and Satoshi Yabushita


 Department of Chemistry, Keio University, Yokohama, Japan


 Potential curves of I2- and I2 were constructed by ab initio spin-orbit CI method with various RECPs and basis sets to study the photodetachment spectra of I2- and the dissociative attachment to I2.  General features of these spectra were well reproduced by our potential curves.   Interesting features include fairly large photodetachment cross section to the final BÓ state even above the dissociation limit energy, which is accessed with bound-to-continuum transition from I2-.   A possibility of misassignment of previous dissociative attachment experiment is pointed out.