The cognitive intent of a highly ordered and robust adsorbent is extremely sensible and, in this context, Covalent Organic Framework (COF) materials have significantly burgeoned their scope in diverse applications. Herein, a simple time-competent hydrothermal procedure is presented to construct a covalent framework with an ultrahigh surface area of 1428 m /g that shows active adsorption of carbon dioxide (CO ) at variable temperature ranges. Moreover, a facile scalably controlled post-synthetic air liquid interfacial plasma (ALIP) induced protocol is substantiated that explicitly amplifies the surface area of the pristine framework even to a higher value of 2051 m /g.
View Article and Find Full Text PDFOrganic entities like suitably functionalized naphthalene diimide (NDI) exhibited logical behaviours in response to various external stimuli and can be used to develop digital logic operations. The present findings include utilization of two congeners of NDI , N1 and N2 for the successive turning ON/OFF of fluorescence with inclusion of acid and base. The recognition of the switching phenomenon of the probes N1 and N2 are applied to construct fundamental digital logic gates such as NOT, YES, IMPLICATION, INHIBIT, The inputs to each of the logic gates are defined by the presence or absence of acid and base.
View Article and Find Full Text PDFIn this study, the impact of fluoroalkyl side chain substitution on the air-stability, π-stacking ability, and charge transport properties of the versatile acceptor moiety naphthalene tetracarboxylic diimide (NDI) has been explored. A density functional theory (DFT) study has been carried out for a series of 24 compounds having different side chains (alkyl, fluoroalkyl) through the imide nitrogen position of NDI moiety. The fluoroalkyl side chain engineered NDI compounds have much deeper highest occupied molecular orbitals (HOMO) and lowest unoccupied molecular orbitals (LUMO) than those of their alkyl substituted compounds due to the electron withdrawing nature of fluoroalkyl groups.
View Article and Find Full Text PDFA comprehensive computational study is performed on model compounds based on 2,1,3-benzochalcogenadiazoles and diketopyrrolopyrroles of A-π-A'-π-A architecture (A and A' represent 2,1,3-benzochalcogenadiazoles and diketopyrrolopyrroles, respectively, and π is the bridging unit between them including thiophene, furan, and selenophene) for their utility as organic semiconductors. The compounds were found to possess planar geometry, which is a desired property for organic semiconductors. The electronic properties, including adiabatic and vertical electron affinity (EA), adiabatic and vertical ionization potential (IP), reorganization energy (λ), hole injection barrier and electron injection barrier, transfer integral, and charge mobility, were calculated.
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