A molecular orbital study of cyclodextrin (cyclomalto-oligosaccharide) inclusion complexes. III, dipole moments of cyclodextrins in various types of inclusion complex

Abstract Large values (10–20 D) of the dipole moments were calculated for cyclomalto-hexaose, -heptaose, and -octaose (αCD, βCD, and γCD) and also two types of methylated CD by means of the CNDO/2 MO method, using the X-ray structures of various inclusion complexes. The relative strengths of the dipole moments were αCD

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