The electron density, molecular electrostatic potential, Laplacian of the electron density and the electron localization function have been used to elucidate the features of the chemical bond in cyclophosphazenes P_nN_nH_2n (n = 2, 3, 4, 5, 6) and their derivatives. It was demonstrated that mutual arrangement of negative and positive regions in molecular electrostatic potential, topology of the Laplacian and presence of monosynaptic ELF attractors near N atoms explain all together the details of the selfassembling the supramolecular complexes of cyclophosphazenes and their derivatives. Analysis shows that stacking-interaction between phosphazene cycles is realized by P-N close-shell contacts.
The study was supported by Russian Ministry for High Education (grant E 02-5.0-161).

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