Abstract
The results of ab initio floating gaussian orbital calculations on C 5H 5X (X = CH, N, O +, SiH, P and S +) are used to obtain the dominant π-electron contribution to the molar magnetic susceptibility anisotropy for each compound studied. By choosing benzene to be the prototypical aromatic system and comparing relative anisotropies, the following ordering is produced (X in C 5H 5X): CH > S + > N ≈ P > SiH ≈ O +.
Published Version
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