Calculation of the magnetic hyperfine interaction in the E and X states of iodine with the separated-atom theory

International audienceUsing the separated-atom representation of a molecular state, simple analytic calculations of the magnetic hyperfine interaction in the E and X states of I2 are given. The value of the magnetic hyperfine constant C in the ion-pair state E was found to be strongly dependent on the assumed dissociation asymptote for this state. Comparison with the experimental result clearly shows the correlation of the E state to the 3P2 state of I+. In the ground state X our predicted value for the C constant in the v″=83 level, C83=51 kHz is in good agreement with the measured value C83=59±5 kHz. Thus, the separated-atom theory provides a simple way of evaluating the hyperfine structure of molecular states with respect to their dissociation limits, giving an excellent test of their atomic origin