Abstract
The equilibrium geometries of the [ n] paracyclophanes ( n = 7,8) have been predicted via ab initio molecular quantum mechanics. Self-consistent-field (SCF) theory has been used in conjunction with minimum (MBS) and double-zeta (DZ) basis sets. Together with earlier theoretical studies of [5]paracyclophane and [6]paracyclophane, this research comprises a fairly complete study of the structures of small paracyclophanes for which some experimental data exists.
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