Photoinduced Electron Transfer Between Metalloporphyrin Complex Dihydroxy Antimony ( v) Tetrapbenylporphine and Halide in Acetonitrile Solution

Abstract

:Electron transfer (El) through molecular frameworks is. ce.ntral

to  a wide  range  of  chemical,  physical  ,  an   biological   processes. Atheoretical  calculation  Â·investigation   of  (ED  between  dihydroxy antimony  (V)   tetraP.henylporphine cation  (Sb''(TP.P)(04)2] and halid cr,Br·,r ,and SCN- is presented . These Calculations &re  is fiting on experrnental  studies  Showing  that the rate of Electron Transfer. The theoretical  Calculation   are   based  Â·an   a   eontinm: m   theory.   The tran:sferr ng  is  treated   quantum   mechanically,   and  the  solvent   i·s represented  as  adielectric  continuum .  For electronically  nonadiabatic ET  ,  the  rate  expres ions  for (ET),KET ,depend  on  the  e1ectronic Coupling matrix element ,HAB   ,   the free energy change of the reaction

!:!..G o ʉۢ and the reorganization energy J.