title: NMR spectrometric studies of complexation of [60]fullerene with series of anisoles.
abstract: Detailed (1)H and (13)C NMR spectrometric studies have been carried out to gain insight into the nature of molecular interactions of the electron donor-acceptor (EDA) complexes of [60]fullerene with a series of anisoles, namely, anisole, m-bromoanisole, and p-bromoanisole. [60]Fullerene has been shown to form 1:1 adducts with the above series of anisoles. Formation constants (K) for all the complexes have been determined from the systematic variation of the NMR chemical shifts of specific protons of the anisoles in the presence of [60]fullerene. The K values of [60]fullerene/anisole, [60]fullerene/m-bromoanisole, and [60]fullerene/ p-bromoanisole complexes yield good estimates of the Hammett rho constant for the complexation reaction. To the best of our knowledge, this paper reports for the first time a very fruitful technique by which the concentrations of EDA complexes can be estimated from systematic variations of the (13)C NMR signal.
authors.affiliation: Department of Chemistry, The University of Burdwan, Golapbag, Burdwan - 713 104, India.
authors.forename: Sumanta
authors.initials: S
authors.lastname: Bhattacharya
authors.forename: Ajay K
authors.initials: AK
authors.lastname: Bauri
authors.forename: Subrata
authors.initials: S
authors.lastname: Chattopadhyay
authors.forename: Manas
authors.initials: M
authors.lastname: Banerjee
mesh_terms: D000840:Anisoles / Q000737:chemistry*; D004583:Electrons; D037741:Fullerenes / Q000737:chemistry*; D009682:Magnetic Resonance Spectroscopy / Q000379:methods*; D008956:Models, Chemical; D008968:Molecular Conformation; D011522:Protons; D012984:Software; D013237:Stereoisomerism; D013816:Thermodynamics
chemical_list: D000840:Anisoles; D037741:Fullerenes; D011522:Protons; C060998:anisole; C069837:fullerene C60