D. Galisteo et al., EMPIRICAL RELATIONSHIP BETWEEN STRUCTURE AND MOLECULAR OPTICAL-ROTATION IN POLYHYDROXYCYCLOHEXANES, Journal of molecular structure, 447(1-2), 1998, pp. 127-133
A simple empirical relationship between geometrical parameters and mol
ecular optical rotation experimental values exists for a series of pol
yhydroxycyclohexanes. For every compound, dihedral angles and energies
were obtained by optimization of their geometry using an MM2 molecula
r mechanics program. This simple method allows prediction of the sign
and magnitude of molecular optical rotation for cyclic compounds. (C)
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