TITLE:
Solvatochromism and Molecular Selectivity of C-(4-chlorophenyl)-N-phenylnitrone: A Photophysical Study
AUTHORS:
Sneha Salampuria, Tandrima Chaudhuri, Manas Banerjee
KEYWORDS:
1, 3-DC Efficiency; Binding Constant; Nitrone Selectivity; DFT
JOURNAL NAME:
Optics and Photonics Journal,
Vol.2 No.1,
March
28,
2012
ABSTRACT: The ground state interaction of C-(4-chlorophenyl)-N-phenylnitrone (N1) with three different α, β-unsaturated ketones (K1 - K3) in very dilute solution (10-6 mol dm-3) has been noticed through charge transfer band formation in the visible region. The experimentally measured transition dipole, ground state resonance energy and formation constants of the complexes indicate interaction selectivity of the acyclic nitrone (N1) for the ketones. Molar absorptivity of the absorbing complexes were determined for all the three N1/K (1:1) interacting systems in toluene. Experimental findings were well rationalized with the help of electron density based global electrophilicity and nucleophilicity indices as well as with frontier molecular orbital calculations.