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In this investigation, a novel surfactant (N, N, N-trimethyl-4-(5-(octyloxy) naphthalene-1-yloxy) butan-1-aminium bromide, TNBAB) with a naphthalene chromophore moiety was designed and synthesized. The UV, fluorescence and  1 H NMR measurements and molecular modeling have been carried out at 298.2 K for TNBAB   +   H 2 O, and TNBAB   +   β -CD   +   H 2 O systems. The stoichoimetry, stability constant and potential energy surface for the inclusion complex of TNBAB and  β -CD have been determined. The results of UV and fluorescence suggested that  β -CD formed strong complex with TNBAB, the stoichoimetry was found to be almost   1:1  , and the inclusion constants obtained are larger than 2.1×10 4  L mol -1 .  1 H NMR and molecular modeling studies indicated  β -CD and TNBAB could form a two different inclusion complexes (Fig. 9), the two part of the aliphatic chain (one including partly naphthalene nucleus) were encapsulated in the cavity of the  β -CD through hydrophobic interaction, respectively.

Spectroscopic and Molecular Modeling Studies of the Inclusion Complex of TNBAB with β -cyclodextrin in Aqueous Solution