Dipole Moments of the Nonlinear Optical Materials NPO and POM
Solution-phase measurements and ab initio quantum-mechanical calculations (MP2/6-311G**//MP2/6-31G*) of the dipole moments of 4-nitropyridine N-oxide (µexptl = 0.83 ± 0.04 D, µcalc = 0.97 D) and 3-methyl-4-nitropyridine N-oxide (µexptl = 0.69 ± 0.05 D, µcalc = 0.89 D) show that the electronic effects of methyl substitution are localized and much smaller (Δµ < 0.2 D) than had previously been thought.
G. S. Chen et al., "Dipole Moments of the Nonlinear Optical Materials NPO and POM," Chemical Communications, no. 15, pp. 1719-1720, Royal Society of Chemistry, Jan 1996.
The definitive version is available at https://doi.org/10.1039/cc9960001719
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