Site-specific ammonia adsorption and transduction on a naphthalimide derivative molecule – a complementary analysis involving <i>ab initio</i> calculation and experimental verification
Aditya Tiwari, Rikitha S. Fernandes, Nilanjan Dey, Sayan Kanungo
Abstract
adsorption results in electron transfer to the host molecule leading to the formation of stable radical anion species, which significantly modulated the frontal molecular orbitals of NDI-PHE, suggesting superior transduction for both electrochemical and optical detection.
Topics & Concepts
Ab initioAmmoniaMoleculeDerivative (finance)AdsorptionComputational chemistryChemistryAb initio quantum chemistry methodsPhysical chemistryOrganic chemistryFinancial economicsEconomicsGas Sensing Nanomaterials and SensorsLuminescence and Fluorescent MaterialsAmmonia Synthesis and Nitrogen Reduction