Calculation of D ecay Rate Constan ts of ۲۱Ag ۱۱ Ag Internal Conversion in trans, trans-۱, ۳, ۵,۷-Oct atetraene

The first excited state of linear (all-trans-)polyenes with four or more double bonds is the covalent ۲'A, electronic state in which transition from the ground state ۱'A, to that is dipole forbidden to first order. The () – O'band is absent and most of intensity is distributed among the bands which are progressions in Franck-Condon active totally symmetrica, modes built on several (–۱' false origins due to nontotally symmetric b, Herzberg-Teller promoting modes. It is our aim of this paper to calculate decay rate constant of ۲A, +۱'A internal conversion of trans, trans-۱,۳,۵,۷-octatetraene using theoretical expressions developed in the previous works [۱]. In addition, the vibrational normal modes which have the highest contributions to this process are investigated.

کلیدواژه ها:

all-trans-۱ ، ۳ ، ۵ ، ۷-Oc tatetraene ، Internal Conversion ، Dip ole forbidd en transition.