title: Experimental and Quantum Chemical Calculations of Imidazolium Appended Naphthalene Hybrid in Different Biomimicking Aqueous Interfaces.
abstract: The effect of solvent polarity and micellar headgroup on a newly designed imidazolium based ionic liquid (IL) conjugated with naphthalene, 1,2-dimethyl-3-((6-(octyloxy)naphthalen-2-yl)methyl)-1H-imidazol-3-ium chloride (IN-O8-Cl), was studied using steady state and time-resolved fluorescence techniques. We observed that the dipole moment in the excited state is remarkably higher than the ground state. The effect of micellar surface charge on the photophysics of IN-O8-Cl in aqueous phase at room temperature was investigated. Formation of premicellar aggregates in sodium dodecylsulfate (SDS) was perceived; further the microenvironment of IN-O8-Cl was examined using steady-state fluorescence spectroscopy. Micropolarity of the micellar environment of SDS was found to be lower than that of cetyltrimethylammonium bromide (CTAB) and triton X-100 (TX100) following the order SDS < TX-100 < CTAB. The binding constant (Kb) and edge excitation red shift (EERS) from the emission maximum suggest that the probe binds strongly to the micelles. Multiexponential behavior was observed in time-resolved fluorescence lifetime studies in all micellar environments. We have observed an increase in rotational correlation time as we move from pure aqueous phase to solution containing surfactants of different head charge. Varieties of spectral parameters were used to justify the region in which the probe is present. The experimentally obtained dipole moment data were justified and explained by the DFT calculations of the electronic properties of IN-O8-Cl molecules in gas phase and in selected solvents.
authors.affiliation: Department of Physics, Birla Institute of Technology and Science (BITS) Pilani , Pilani 333031, Rajasthan, India.
authors.forename: Tej Varma
authors.initials: TV
authors.lastname: Yenupuri
authors.affiliation: Institute of Physics, Faculty of Mathematics and Natural Science, Jan Dlugosz University , Al. Armii Krajowej 13/15, 42-200 Czestochowa, Poland.
authors.forename: Lucia
authors.initials: L
authors.lastname: Mydlova
authors.affiliation: Department of Chemistry, Birla Institute of Technology and Science (BITS) Pilani , Pilani 333031, Rajasthan, India.
authors.forename: Devesh S
authors.initials: DS
authors.lastname: Agarwal
authors.affiliation: Department of Physics, Birla Institute of Technology and Science (BITS) Pilani , Pilani 333031, Rajasthan, India.
authors.forename: Ritika
authors.initials: R
authors.lastname: Sharma
authors.affiliation: Department of Chemistry, Birla Institute of Technology and Science (BITS) Pilani , Pilani 333031, Rajasthan, India.
authors.forename: Rajeev
authors.initials: R
authors.lastname: Sakhuja
authors.affiliation: Institute of Physics, Faculty of Mathematics and Natural Science, Jan Dlugosz University , Al. Armii Krajowej 13/15, 42-200 Czestochowa, Poland.
authors.forename: Malgorzata
authors.initials: M
authors.lastname: Makowska-Janusik
authors.affiliation: Department of Physics, Birla Institute of Technology and Science (BITS) Pilani , Pilani 333031, Rajasthan, India.
authors.forename: Debi D
authors.initials: DD
authors.lastname: Pant
mesh_terms: D007093:Imidazoles / Q000737:chemistry*; D052578:Ionic Liquids / Q000737:chemistry*; D008823:Micelles; D009281:Naphthalenes / Q000737:chemistry*; D011789:Quantum Theory; D012997:Solvents / Q000737:chemistry; D013050:Spectrometry, Fluorescence; D014867:Water / Q000737:chemistry
chemical_list: D007093:Imidazoles; D052578:Ionic Liquids; D008823:Micelles; D009281:Naphthalenes; D012997:Solvents; D014867:Water; C031721:naphthalene; C029899:imidazole