Electronic Spectroscopic Studies of L-Ascorbic Acid and Adenine

Anwar S. El-Shahawy

Chemistry Department faculty of Sciences, Assiut University, Asstut Egypt.

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ABSTRACT:

The SCF-CI calculations were made for the singlet and triplet electronic transitions for the adenine molecule and L-ascorbic acid molecule. The charge densities and the bond orders were calculated from the self iterative eigenvectors of the SCF-eigenfunctions for the molecules, cations and anions. Our calculations predict the presence of L-ascorbic acid also in the anionic form in a polar solvent. The electron transfer from adenine as a donor to L-ascorbic acid as an acceptor is absent.

KEYWORDS:

SCF-CI; Electronic; Spectroscopic