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Identification of Polychlorinated Pyrenes and Pyrene-Addition Products Using Proton Nuclear Magnetic Resonance Techniques

Volume 41, Number 7 (Oct. 1987) Page 1194-1199

Ashley, David L.; Barnhart, Elizabeth R.; Patterson, Donald G.; Hill, Robert H.

Nuclear magnetic resonance (NMR) techniques are used to determine the chlorination pattern on a number of chlorinated pyrenes and pyrene-addition products. Determining chemical shifts, couplings, and longitudinal relaxation rates makes the unequivocal assignment of these molecules possible. Chlorination under the conditions described here were found to follow the normal orientation rules for pyrene. Spectral parameters obtained from these molecules are consistent enough to allow further application to unknown compounds. This should simplify assigning NMR spectra to other chlorinated pyrene standards.