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Paper Details

Combinatorial Enumeration of Chiral and Achiral Graphs of [M.N] Paracyclophanes with A Binary Heteropolysubstitution

Robert M. NEMBA

Journal Title:Journal of Chemical, Biological and physical sciences

An algorithm is given for combinatorial enumeration of any [m.n]-paracyclophane symbolized by the empirical formula 0 1 2 f2CjHq Xq Yq satisfying the conditions 2 i i=0 2j+8=?q and where q0 , q1 and q2 are respectively the number of hydrogen atoms and the degrees of heteropolysubstitution of binary type X and Y which represent non isomerisable substituents. The mathematical model based on the concept of the averaged weight of permutations controlling the chirality and the achirality fittingness of molecules, allows a fast an selective computation of the number of chiral and achiral stereo and position isomers of such polycyclic hydrocarbons having two phenyl rings tethered at para position by two carbon bridges of unequal lengths