Colloidal quantum dots with an average size r = 0.92 nm were synthesized. The value of r was found from the formula [1]: 2r =1.6122·10-9λ4-2.65575·10-6λ3+1.6242·10-3λ2- 0.4277λ+41.57, where λ=459 nm is the wavelength corresponding to the maximum of the exciton absorption line (n=1).   The inner radius of the greater base cross section of the γ-cyclodextrin (γ-CD) truncated cone is equal to rint = 0.475 nm. Thus, the CdSe quantum dot (QD) can not be introduced into the cavity of γ-CD molecule. On the other hand, the CdSe QD is covered with a layer of oleic acid (OA) molecules (Fig. 1). The spot lgD(m2/s) = -9.440 belongs to OA molecules on the surface of CdSe QD, while the spot lgD(m2/s) = -8.639 belongs to xylene molecules.   Experimental conditions were found under which the quasi-linear OA molecule connected at one end with the CdSe QD enters into the cavity of γ-CD molecule to form the stable macromolecular complex. Fig. 2 shows the 2D DOSY NMR spectrum of the system consisting of CdSe QD, OA and γ-CD molecules. The spots lgD(m2/s) = -9.72, -9.89, -10.0 belong to γ-CD molecules, the spots lgD(m2/s) = -9.80 in the spectrum range 1–5.2 ppm correspond to OA molecules, while the spot lgD(m2/s) = -9.21 belongs to dimethylsulfoxide (DMSO) molecules. The spot lgD(m2/s) = -9.89  is due to interaction between the H6-type protons of the γ-CD molecules and protons of OA molecules. These results were also confirmed by the data obtained from 2D NOESY NMR spectra.  Fig. 1. 2D DOSY NMR spectrum of CdSe QD covered by a layer of OA molecules in xilen. Fig. 2. 2D DOSY NMR spectrum of macromolecular complex ”CdSe QD+OA+γ-CD” in DMSO.   Fig. 3 shows the calculated (DFT B3LYP method) potential energy E (kcal/mol) of interaction between the γ-CD and OA molecules as a function of the distances R (Å) between the bottom of γ-CD and the center of the double C=C bond of OA molecule. The existence of the minimum on the curve indicates that these molecules are bound, and the presence of chemical bonding between CdSe QD and OA molecules causes formation of the macromolecular complex under investigation.