Ab initio, second-order, Møller−Plesset perturbation theory calculations of quadrupole and octopole moments are reported for 36 different 6π-electron monocycles: benzene, 12 azines, pyrrole, 9 azoles, furan, 9 oxazoles, borazine, boroxine, and 1,2,4,3,5-trioxadiborole. Agreement with the limited experimental and computational data available is generally good.
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Doerksen et al. (1999) studied this question.
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