LAUSR

Abstract A biocompatible metal-organic framework (MOF) [Zn2(TPL)(FA)(OH)(H2O)] (1) (TPL = theophylline and H2FA = fumaric acid) had been chosen which offers an ideal model for the development of fluorescencent chemosensor using simple synthetic protocol. The MOF 1 have been tested as a fluorescent chemosensor against nitro-aromatics (NACs) and it displayed high selectivity for 4-NT over other NACs as evident by the emission spectroscopy. The alleviation in fluorescence intensity of 1 in presence of different NACs have been explained with the help of theoretical calculations which suggested that there is occurrence of both electron and energy transfer processes, in addition to electrostatic interaction between 1 and NACs which may be responsible for the unprecedented selective alleviation in the fluorescence intensity. Also, 1 had been deployed as a photocatalyst for the degradation of methyl violet (MV) and Rhodamine B (Rh B) in aqueous solution under UV irradiation. The photocatalytic results indicated the 1 exhibit 85% photocatalytic efficiency against Rh B in 100 min, while its efficiency against MV was only 50% under the identical experimental conditions. The possible mechanism for the photocatalytic activity has been proposed using density of states (DOS) calculations.