Electronic structure and polarizability of ortho-benzoquinonediimine and its singly and doubly charged anions

The results of electronic structure calculations for o-benzoquinonediimine and its singly and doubly charged anions are presented. The variation of the geometrical and valence structures due to electron addition to the molecule is analyzed, and electron affinity is estimated. Polarizabilities of the neutral molecule and singly charged anion are calculated. The influence of the basis on the results of polarizability calculations for molecular anions is investigated. Translated from Zhumal Struktumoi Khim ii, Vol. 41, No. 1, pp. 34-41, January–February, 2000.